Strongylophorine-8
PubChem CID: 14564373
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| Compound Synonyms | strongylophorine-8, (1S,2S,5S,6S,7R,10R,11S)-6-((2,5-dihydroxyphenyl)methyl)-5-hydroxy-5,7,11-trimethyl-13-oxatetracyclo(9.3.3.01,10.02,7)heptadecan-12-one, (1S,2S,5S,6S,7R,10R,11S)-6-[(2,5-dihydroxyphenyl)methyl]-5-hydroxy-5,7,11-trimethyl-13-oxatetracyclo[9.3.3.01,10.02,7]heptadecan-12-one, CHEMBL388381, BDBM50115389 |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 739.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Uniprot Id | P18031 |
| Iupac Name | (1S,2S,5S,6S,7R,10R,11S)-6-[(2,5-dihydroxyphenyl)methyl]-5-hydroxy-5,7,11-trimethyl-13-oxatetracyclo[9.3.3.01,10.02,7]heptadecan-12-one |
| Prediction Hob | 1.0 |
| Target Id | NPT178 |
| Xlogp | 4.9 |
| Molecular Formula | C26H36O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | PRLHXGOJZIVTIS-VRRJBYJJSA-N |
| Fcsp3 | 0.7307692307692307 |
| Logs | -4.385 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.743 |
| Compound Name | Strongylophorine-8 |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 428.256 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 428.256 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 428.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.620553606451615 |
| Inchi | InChI=1S/C26H36O5/c1-23-11-7-20-24(2)9-4-10-26(20,15-31-22(24)29)19(23)8-12-25(3,30)21(23)14-16-13-17(27)5-6-18(16)28/h5-6,13,19-21,27-28,30H,4,7-12,14-15H2,1-3H3/t19-,20-,21-,23+,24-,25-,26-/m0/s1 |
| Smiles | C[C@@]12CC[C@H]3[C@@]4(CCC[C@@]3([C@H]1CC[C@]([C@H]2CC5=C(C=CC(=C5)O)O)(C)O)COC4=O)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
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FOUND_INto/from Acacia Arabica (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Acacia Armata (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Acacia Aroma (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Acacia Aulacocarpa (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Acacia Auriculaeformis (Plant) Rel Props:Reference: - 8. Outgoing r'ship
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FOUND_INto/from Acacia Cambagei (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Acacia Catechu (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Acacia Caven (Plant) Rel Props:Reference: - 13. Outgoing r'ship
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FOUND_INto/from Acacia Decurrens (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Acacia Farnesiana (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Acacia Ferruginea (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Acacia Glaucescens (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Acacia Indica (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Acacia Jacquemontii (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Acacia Kempeana (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Acacia Lasiopetala (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Acacia Lemmoni (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Acacia Lenticularis (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Acacia Leucophloea (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Acacia Linarioides (Plant) Rel Props:Reference: - 29. Outgoing r'ship
FOUND_INto/from Acacia Mearnsii (Plant) Rel Props:Reference: - 30. Outgoing r'ship
FOUND_INto/from Acacia Melanoxylon (Plant) Rel Props:Reference: - 31. Outgoing r'ship
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FOUND_INto/from Acacia Nilotica (Plant) Rel Props:Reference: - 35. Outgoing r'ship
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FOUND_INto/from Acacia Torta (Plant) Rel Props:Reference: - 54. Outgoing r'ship
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FOUND_INto/from Acacia Victoria (Plant) Rel Props:Reference: - 56. Outgoing r'ship
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FOUND_INto/from Angelica Saxatilis (Plant) Rel Props:Reference: - 58. Outgoing r'ship
FOUND_INto/from Aronia Arbutifolia (Plant) Rel Props:Reference: - 59. Outgoing r'ship
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FOUND_INto/from Boehmeria Siamensis (Plant) Rel Props:Reference: - 66. Outgoing r'ship
FOUND_INto/from Boehmeria Tricuspis (Plant) Rel Props:Reference: - 67. Outgoing r'ship
FOUND_INto/from Centaurea Arbutifolia (Plant) Rel Props:Reference: - 68. Outgoing r'ship
FOUND_INto/from Choor Coleus (Plant) Rel Props:Reference: - 69. Outgoing r'ship
FOUND_INto/from Coleus Amboinicus (Plant) Rel Props:Reference: - 70. Outgoing r'ship
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FOUND_INto/from Croton Discolor (Plant) Rel Props:Reference: - 85. Outgoing r'ship
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FOUND_INto/from Garcinia Pedunculata (Plant) Rel Props:Reference: - 89. Outgoing r'ship
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FOUND_INto/from Gymnosporia Diversifolia (Plant) Rel Props:Reference: - 91. Outgoing r'ship
FOUND_INto/from Gymnosporia Emarginata (Plant) Rel Props:Reference: - 92. Outgoing r'ship
FOUND_INto/from Gymnosporia Montana (Plant) Rel Props:Reference: - 93. Outgoing r'ship
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FOUND_INto/from Gymnosporia Senegalensis (Plant) Rel Props:Reference: - 95. Outgoing r'ship
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FOUND_INto/from Gymnosporia Trigyna (Plant) Rel Props:Reference: - 97. Outgoing r'ship
FOUND_INto/from Gymnosporia Wallichiana (Plant) Rel Props:Reference: - 98. Outgoing r'ship
FOUND_INto/from Lavandula Angustifolia (Plant) Rel Props:Reference: - 99. Outgoing r'ship
FOUND_INto/from Lavandula Bipinnata (Plant) Rel Props:Reference: - 100. Outgoing r'ship
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FOUND_INto/from Lavandula Gibsonii (Plant) Rel Props:Reference: - 103. Outgoing r'ship
FOUND_INto/from Lavandula Intermedia (Plant) Rel Props:Reference: - 104. Outgoing r'ship
FOUND_INto/from Lavandula Officinalis (Plant) Rel Props:Reference: - 105. Outgoing r'ship
FOUND_INto/from Lavandula Pedunculata (Plant) Rel Props:Source_db:npass_chem_all - 106. Outgoing r'ship
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FOUND_INto/from Lavandula Vera (Plant) Rel Props:Reference: - 108. Outgoing r'ship
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FOUND_INto/from Peltogyne Porphyrocardia (Plant) Rel Props:Reference: - 110. Outgoing r'ship
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FOUND_INto/from Stephania Aculeata (Plant) Rel Props:Reference: - 139. Outgoing r'ship
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FOUND_INto/from Stephania Delavayi (Plant) Rel Props:Reference: - 141. Outgoing r'ship
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FOUND_INto/from Stephania Longa (Plant) Rel Props:Reference: - 155. Outgoing r'ship
FOUND_INto/from Stephania Pierrei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 156. Outgoing r'ship
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