Proanthocyanidin B4
PubChem CID: 9959902
Connections displayed (default: 10).
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| Compound Synonyms | Proanthocyanidin B4, 51196-38-4, DTXSID201315456 |
|---|---|
| Topological Polar Surface Area | 221.0 |
| Hydrogen Bond Donor Count | 10.0 |
| Heavy Atom Count | 42.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 925.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol |
| Prediction Hob | 0.0 |
| Xlogp | 2.4 |
| Molecular Formula | C30H26O12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XFZJEEAOWLFHDH-PWWSGAPCSA-N |
| Fcsp3 | 0.2 |
| Logs | -4.514 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.37 |
| Compound Name | Proanthocyanidin B4 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 578.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 578.142 |
| Hydrogen Bond Acceptor Count | 12.0 |
| Molecular Weight | 578.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.144818342857144 |
| Inchi | InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27+,28-,29-/m1/s1 |
| Smiles | C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acacia Tomentosa (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Achyrocline Tomentosa (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Actinidia Arguta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Actinidia Callosa (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Actinidia Chinensis (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Actinidia Chrysantha (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Actinidia Deliciosa (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Actinidia Eriantha (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Actinidia Glaucophylla (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Actinidia Kolomikta (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Actinidia Latifolia (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Actinidia Polygama (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Actinidia Rubricaulis (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Aglaia Tomentosa (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Ampelocissus Tomentosa (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Anemone Tomentosa (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Aria Arguta (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Arnica Longifolia (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Artanema Longifolia (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Asteracantha Longifolia (Plant) Rel Props:Source_db:npass_chem_all - 21. Outgoing r'ship
FOUND_INto/from Basella Rubra (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Bassia Longifolia (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Bauhinia Tomentosa (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Berlinia Tomentosa (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Besella Rubra (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Brickellia Longifolia (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Bridelia Tomentosa (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Buddleja Madagascariensis (Plant) Rel Props:Reference: - 29. Outgoing r'ship
FOUND_INto/from Cabucala Madagascariensis (Plant) Rel Props:Reference: - 30. Outgoing r'ship
FOUND_INto/from Callicarpa Longifolia (Plant) Rel Props:Reference: - 31. Outgoing r'ship
FOUND_INto/from Callicarpa Tomentosa (Plant) Rel Props:Reference: - 32. Outgoing r'ship
FOUND_INto/from Casearia Tomentosa (Plant) Rel Props:Reference: - 33. Outgoing r'ship
FOUND_INto/from Catunaregam Tomentosa (Plant) Rel Props:Reference: - 34. Outgoing r'ship
FOUND_INto/from Cinnamosma Madagascariensis (Plant) Rel Props:Reference: - 35. Outgoing r'ship
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FOUND_INto/from Codonopsis Canescens (Plant) Rel Props:Reference: - 37. Outgoing r'ship
FOUND_INto/from Cousinia Canescens (Plant) Rel Props:Reference: - 38. Outgoing r'ship
FOUND_INto/from Cryptocarya Longifolia (Plant) Rel Props:Reference: - 39. Outgoing r'ship
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FOUND_INto/from Debregeasia Longifolia (Plant) Rel Props:Reference: - 43. Outgoing r'ship
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FOUND_INto/from Delphinium Caeruleum (Plant) Rel Props:Reference: - 48. Outgoing r'ship
FOUND_INto/from Delphinium Campylocentrum (Plant) Rel Props:Reference: - 49. Outgoing r'ship
FOUND_INto/from Delphinium Cashmerianum (Plant) Rel Props:Reference: - 50. Outgoing r'ship
FOUND_INto/from Delphinium Confusum (Plant) Rel Props:Reference: - 51. Outgoing r'ship
FOUND_INto/from Delphinium Consolida (Plant) Rel Props:Reference: - 52. Outgoing r'ship
FOUND_INto/from Delphinium Cyphoplectrum (Plant) Rel Props:Reference: - 53. Outgoing r'ship
FOUND_INto/from Delphinium Denudatum (Plant) Rel Props:Reference: - 54. Outgoing r'ship
FOUND_INto/from Delphinium Dictyocarpum (Plant) Rel Props:Reference: - 55. Outgoing r'ship
FOUND_INto/from Delphinium Elatum (Plant) Rel Props:Reference: - 56. Outgoing r'ship
FOUND_INto/from Delphinium Fangshanense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 57. Outgoing r'ship
FOUND_INto/from Delphinium Giraldii (Plant) Rel Props:Reference: - 58. Outgoing r'ship
FOUND_INto/from Delphinium Glaciale (Plant) Rel Props:Reference: - 59. Outgoing r'ship
FOUND_INto/from Delphinium Hybr (Plant) Rel Props:Reference: - 60. Outgoing r'ship
FOUND_INto/from Delphinium Iliense (Plant) Rel Props:Reference: - 61. Outgoing r'ship
FOUND_INto/from Delphinium Nuttallianum (Plant) Rel Props:Reference: - 62. Outgoing r'ship
FOUND_INto/from Delphinium Occidentale (Plant) Rel Props:Reference: - 63. Outgoing r'ship
FOUND_INto/from Delphinium Paciflorum (Plant) Rel Props:Reference: - 64. Outgoing r'ship
FOUND_INto/from Delphinium Roylei (Plant) Rel Props:Reference: - 65. Outgoing r'ship
FOUND_INto/from Delphinium Semibarbatum (Plant) Rel Props:Reference: - 66. Outgoing r'ship
FOUND_INto/from Delphinium Shawurense (Plant) Rel Props:Reference: - 67. Outgoing r'ship
FOUND_INto/from Delphinium Speciosum (Plant) Rel Props:Reference: - 68. Outgoing r'ship
FOUND_INto/from Delphinium Staphisagria (Plant) Rel Props:Reference: - 69. Outgoing r'ship
FOUND_INto/from Delphinium Tatsienense (Plant) Rel Props:Reference: - 70. Outgoing r'ship
FOUND_INto/from Delphinium Tricorne (Plant) Rel Props:Reference: - 71. Outgoing r'ship
FOUND_INto/from Delphinium Trifoliolatum (Plant) Rel Props:Reference: - 72. Outgoing r'ship
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FOUND_INto/from Delphinium Virgatum (Plant) Rel Props:Reference: - 74. Outgoing r'ship
FOUND_INto/from Delphinium Viscosum (Plant) Rel Props:Reference: - 75. Outgoing r'ship
FOUND_INto/from Delphinium Yunnanense (Plant) Rel Props:Reference: - 76. Outgoing r'ship
FOUND_INto/from Delphinium Zalil (Plant) Rel Props:Reference: - 77. Outgoing r'ship
FOUND_INto/from Dicoma Tomentosa (Plant) Rel Props:Reference: - 78. Outgoing r'ship
FOUND_INto/from Dioscorea Tomentosa (Plant) Rel Props:Reference: - 79. Outgoing r'ship
FOUND_INto/from Dryopteris Arguta (Plant) Rel Props:Reference: - 80. Outgoing r'ship
FOUND_INto/from Edgeworthia Tomentosa (Plant) Rel Props:Reference: - 81. Outgoing r'ship
FOUND_INto/from Eria Tomentosa (Plant) Rel Props:Reference: - 82. Outgoing r'ship
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FOUND_INto/from Euphrasia Rubra (Plant) Rel Props:Reference: - 84. Outgoing r'ship
FOUND_INto/from Eurycoma Longifolia (Plant) Rel Props:Reference: - 85. Outgoing r'ship
FOUND_INto/from Ficus Tomentosa (Plant) Rel Props:Reference: - 86. Outgoing r'ship
FOUND_INto/from Goupia Tomentosa (Plant) Rel Props:Reference: - 87. Outgoing r'ship
FOUND_INto/from Harungana Madagascariensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 88. Outgoing r'ship
FOUND_INto/from Helianthus Canescens (Plant) Rel Props:Reference: - 89. Outgoing r'ship
FOUND_INto/from Heracleum Canescens (Plant) Rel Props:Reference: - 90. Outgoing r'ship
FOUND_INto/from Hibiscus Canescens (Plant) Rel Props:Reference: - 91. Outgoing r'ship
FOUND_INto/from Holigarna Longifolia (Plant) Rel Props:Reference: - 92. Outgoing r'ship
FOUND_INto/from Hubertia Tomentosa (Plant) Rel Props:Reference: - 93. Outgoing r'ship
FOUND_INto/from Hyptis Tomentosa (Plant) Rel Props:Reference: - 94. Outgoing r'ship
FOUND_INto/from Incarvillea Arguta (Plant) Rel Props:Reference: - 95. Outgoing r'ship
FOUND_INto/from Lespedeza Tomentosa (Plant) Rel Props:Reference: - 96. Outgoing r'ship
FOUND_INto/from Lithospermum Canescens (Plant) Rel Props:Reference: - 97. Outgoing r'ship
FOUND_INto/from Madhuca Longifolia (Plant) Rel Props:Reference: - 98. Outgoing r'ship
FOUND_INto/from Mammea Longifolia (Plant) Rel Props:Reference: - 99. Outgoing r'ship
FOUND_INto/from Melochia Tomentosa (Plant) Rel Props:Reference: - 100. Outgoing r'ship
FOUND_INto/from Mentha Longifolia (Plant) Rel Props:Reference: - 101. Outgoing r'ship
FOUND_INto/from Michelia Longifolia (Plant) Rel Props:Reference: - 102. Outgoing r'ship
FOUND_INto/from Morella Rubra (Plant) Rel Props:Reference: - 103. Outgoing r'ship
FOUND_INto/from Morina Longifolia (Plant) Rel Props:Reference: - 104. Outgoing r'ship
FOUND_INto/from Morinda Tomentosa (Plant) Rel Props:Reference: - 105. Outgoing r'ship
FOUND_INto/from Morus Rubra (Plant) Rel Props:Reference: - 106. Outgoing r'ship
FOUND_INto/from Mycetia Longifolia (Plant) Rel Props:Reference: - 107. Outgoing r'ship
FOUND_INto/from Myrtus Tomentosa (Plant) Rel Props:Reference: - 108. Outgoing r'ship
FOUND_INto/from Nectandra Rubra (Plant) Rel Props:Reference: - 109. Outgoing r'ship
FOUND_INto/from Nelsonia Canescens (Plant) Rel Props:Reference: - 110. Outgoing r'ship
FOUND_INto/from Nymphaea Rubra (Plant) Rel Props:Reference: - 111. Outgoing r'ship
FOUND_INto/from Odontites Rubra (Plant) Rel Props:Reference: - 112. Outgoing r'ship
FOUND_INto/from Pajanelia Longifolia (Plant) Rel Props:Reference: - 113. Outgoing r'ship
FOUND_INto/from Paulownia Tomentosa (Plant) Rel Props:Reference: - 114. Outgoing r'ship
FOUND_INto/from Perilla Frutescens (Plant) Rel Props:Reference: - 115. Outgoing r'ship
FOUND_INto/from Physalis Longifolia (Plant) Rel Props:Reference: - 116. Outgoing r'ship
FOUND_INto/from Pinus Longifolia (Plant) Rel Props:Reference: - 117. Outgoing r'ship
FOUND_INto/from Pluchea Tomentosa (Plant) Rel Props:Reference: - 118. Outgoing r'ship
FOUND_INto/from Plumeria Rubra (Plant) Rel Props:Reference: - 119. Outgoing r'ship
FOUND_INto/from Plumieria Rubra (Plant) Rel Props:Reference: - 120. Outgoing r'ship
FOUND_INto/from Polyalthia Longifolia (Plant) Rel Props:Reference: - 121. Outgoing r'ship
FOUND_INto/from Polygala Longifolia (Plant) Rel Props:Reference: - 122. Outgoing r'ship
FOUND_INto/from Polythia Longifolia (Plant) Rel Props:Reference: - 123. Outgoing r'ship
FOUND_INto/from Populus Tomentosa (Plant) Rel Props:Reference: - 124. Outgoing r'ship
FOUND_INto/from Premna Tomentosa (Plant) Rel Props:Reference: - 125. Outgoing r'ship
FOUND_INto/from Prunus Tomentosa (Plant) Rel Props:Reference: - 126. Outgoing r'ship
FOUND_INto/from Pterospermum Canescens (Plant) Rel Props:Reference: - 127. Outgoing r'ship
FOUND_INto/from Quercus Rubra (Plant) Rel Props:Reference: - 128. Outgoing r'ship
FOUND_INto/from Rauvolfia Canescens (Plant) Rel Props:Reference: - 129. Outgoing r'ship
FOUND_INto/from Ravenala Madagascariensis (Plant) Rel Props:Reference: - 130. Outgoing r'ship
FOUND_INto/from Rhodomyrtus Tomentosa (Plant) Rel Props:Reference: - 131. Outgoing r'ship
FOUND_INto/from Rosa Rubra (Plant) Rel Props:Reference: - 132. Outgoing r'ship
FOUND_INto/from Salacia Madagascariensis (Plant) Rel Props:Reference: - 133. Outgoing r'ship
FOUND_INto/from Salvia Tomentosa (Plant) Rel Props:Reference: - 134. Outgoing r'ship
FOUND_INto/from Samadera Madagascariensis (Plant) Rel Props:Reference: - 135. Outgoing r'ship
FOUND_INto/from Senecio Madagascariensis (Plant) Rel Props:Reference: - 136. Outgoing r'ship
FOUND_INto/from Sesamoides Canescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 137. Outgoing r'ship
FOUND_INto/from Sextonia Rubra (Plant) Rel Props:Reference: - 138. Outgoing r'ship
FOUND_INto/from Sophora Tomentosa (Plant) Rel Props:Reference: - 139. Outgoing r'ship
FOUND_INto/from Sorbaria Tomentosa (Plant) Rel Props:Reference: - 140. Outgoing r'ship
FOUND_INto/from Spergularia Rubra (Plant) Rel Props:Reference: - 141. Outgoing r'ship
FOUND_INto/from Spiraea Canescens (Plant) Rel Props:Reference: - 142. Outgoing r'ship
FOUND_INto/from Spirotropis Longifolia (Plant) Rel Props:Reference: - 143. Outgoing r'ship
FOUND_INto/from Strychnos Tomentosa (Plant) Rel Props:Reference: - 144. Outgoing r'ship
FOUND_INto/from Swartzia Madagascariensis (Plant) Rel Props:Reference: - 145. Outgoing r'ship
FOUND_INto/from Terminalia Tomentosa (Plant) Rel Props:Reference: - 146. Outgoing r'ship
FOUND_INto/from Tinospora Tomentosa (Plant) Rel Props:Reference: - 147. Outgoing r'ship
FOUND_INto/from Trema Tomentosa (Plant) Rel Props:Reference: - 148. Outgoing r'ship
FOUND_INto/from Turpinia Arguta (Plant) Rel Props:Reference: - 149. Outgoing r'ship
FOUND_INto/from Uncaria Acida (Plant) Rel Props:Reference: - 150. Outgoing r'ship
FOUND_INto/from Uncaria Africana (Plant) Rel Props:Reference: - 151. Outgoing r'ship
FOUND_INto/from Uncaria Attenuata (Plant) Rel Props:Reference: - 152. Outgoing r'ship
FOUND_INto/from Uncaria Borneensis (Plant) Rel Props:Reference: - 153. Outgoing r'ship
FOUND_INto/from Uncaria Callophylla (Plant) Rel Props:Reference: - 154. Outgoing r'ship
FOUND_INto/from Uncaria Canescens (Plant) Rel Props:Reference: - 155. Outgoing r'ship
FOUND_INto/from Uncaria Cordata (Plant) Rel Props:Reference: - 156. Outgoing r'ship
FOUND_INto/from Uncaria Donisii (Plant) Rel Props:Reference: - 157. Outgoing r'ship
FOUND_INto/from Uncaria Elliptica (Plant) Rel Props:Reference: - 158. Outgoing r'ship
FOUND_INto/from Uncaria Gambier (Plant) Rel Props:Reference: - 159. Outgoing r'ship
FOUND_INto/from Uncaria Gambir (Plant) Rel Props:Reference: - 160. Outgoing r'ship
FOUND_INto/from Uncaria Guianensis (Plant) Rel Props:Reference: - 161. Outgoing r'ship
FOUND_INto/from Uncaria Hirsuta (Plant) Rel Props:Reference: - 162. Outgoing r'ship
FOUND_INto/from Uncaria Homomalla (Plant) Rel Props:Reference: - 163. Outgoing r'ship
FOUND_INto/from Uncaria Kawakamii (Plant) Rel Props:Reference: - 164. Outgoing r'ship
FOUND_INto/from Uncaria Laevigata (Plant) Rel Props:Reference: - 165. Outgoing r'ship
FOUND_INto/from Uncaria Lancifolia (Plant) Rel Props:Reference: - 166. Outgoing r'ship
FOUND_INto/from Uncaria Lanosa (Plant) Rel Props:Reference: - 167. Outgoing r'ship
FOUND_INto/from Uncaria Longiflora (Plant) Rel Props:Reference: - 168. Outgoing r'ship
FOUND_INto/from Uncaria Macrophylla (Plant) Rel Props:Reference: - 169. Outgoing r'ship
FOUND_INto/from Uncaria Nervosa (Plant) Rel Props:Reference: - 170. Outgoing r'ship
FOUND_INto/from Uncaria Orientalis (Plant) Rel Props:Reference: - 171. Outgoing r'ship
FOUND_INto/from Uncaria Perrottetii (Plant) Rel Props:Reference: - 172. Outgoing r'ship
FOUND_INto/from Uncaria Quadrangularis (Plant) Rel Props:Reference: - 173. Outgoing r'ship
FOUND_INto/from Uncaria Rhynchophylla (Plant) Rel Props:Reference: - 174. Outgoing r'ship
FOUND_INto/from Uncaria Scandens (Plant) Rel Props:Reference: - 175. Outgoing r'ship
FOUND_INto/from Uncaria Sessilifructus (Plant) Rel Props:Reference: - 176. Outgoing r'ship
FOUND_INto/from Uncaria Sinensis (Plant) Rel Props:Reference: - 177. Outgoing r'ship
FOUND_INto/from Uncaria Sterrophylla (Plant) Rel Props:Reference: - 178. Outgoing r'ship
FOUND_INto/from Uncaria Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 179. Outgoing r'ship
FOUND_INto/from Uncaria Veluntina (Plant) Rel Props:Reference: - 180. Outgoing r'ship
FOUND_INto/from Vasconcellea Cundinamarcensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 181. Outgoing r'ship
FOUND_INto/from Vasconcellea Pubescens (Plant) Rel Props:Reference: - 182. Outgoing r'ship
FOUND_INto/from Veronica Longifolia (Plant) Rel Props:Reference: - 183. Outgoing r'ship
FOUND_INto/from Viola Canescens (Plant) Rel Props:Reference: - 184. Outgoing r'ship
FOUND_INto/from Vitis Tomentosa (Plant) Rel Props:Reference: - 185. Outgoing r'ship
FOUND_INto/from Wikstroemia Canescens (Plant) Rel Props:Reference: - 186. Outgoing r'ship
FOUND_INto/from Wrightia Tomentosa (Plant) Rel Props:Reference: - 187. Outgoing r'ship
FOUND_INto/from Xantolis Tomentosa (Plant) Rel Props:Reference: - 188. Outgoing r'ship
FOUND_INto/from Xylosma Longifolia (Plant) Rel Props:Reference: