Schisantherin B

PubChem CID: 6438572

Connections displayed (default: 10).

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Compound Synonyms	Schisantherin B, 58546-55-7, Gomisin B, Wuweizi ester B, Schisandrer B, 97ZTC185XV, UNII-97ZTC185XV, Schisantherin C, CHEBI:81352, 2-BUTENOIC ACID, 2-METHYL-, (5S,6S,7S,13AS)-5,6,7,8-TETRAHYDRO-6-HYDROXY-1,2,3,13-TETRAMETHOXY-6,7-DIMETHYLBENZO[3,4]CYCLOOCTA[1,2-F][1,3]BENZODIOXOL-5-YL ESTER, (2Z)-, (5S,6S,7S)-6-hydroxy-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-5-yl (Z)-2-methylbut-2-enoate, [(8S,9S,10S)-9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl] (Z)-2-methylbut-2-enoate, 2-BUTENOIC ACID, 2-METHYL-, (5S,6S,7S,13AS)-5,6,7,8-TETRAHYDRO-6-HYDROXY-1,2,3,13-TETRAMETHOXY-6,7-DIMETHYLBENZO(3,4)CYCLOOCTA(1,2-F)(1,3)BENZODIOXOL-5-YL ESTER, (2Z)-, 2-Butenoic acid, 2-methyl-, 5,6,7,8-tetrahydro-6-hydroxy-1,2,3,13-tetramethoxy-6,7-dimethylbenzo(3,4)cycloocta(1,2-f)(1,3)benzodioxol-5-yl ester, (5S-(5alpha(Z),6beta,7beta))-, (hydroxy-tetramethoxy-dimethyl-[?]yl) (Z)-2-methylbut-2-enoate, CHEMBL490308, SCHEMBL25301715, AKOS015965248, CCG-269808, AC-20312, AC-34853, DA-57731, G0540, S9443, C17814, Q27155290, 2-Butenoic acid, 2-methyl-, 5,6,7,8-tetrahydro-6-hydroxy-1,2,3,13-tetramethoxy-6,7-dimethylbenzo(3,4)cycloocta(1,2-f)(1,3)benzodioxol-5-yl ester, (5S-(5.alpha.(Z),6.beta.,7.beta.))-
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	102.0
Hydrogen Bond Donor Count	1.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CC2CC3CCCCC4CCCCC4C3CC2C1
Np Classifier Class	Dibenzocyclooctadienes lignans
Deep Smiles	C/C=CC=O)O[C@H]cccOC))ccc6-ccC[C@@H][C@]%12C)O))C)))cccc6OC)))OCO5)))))))))OC)))OC)))))))))/C
Heavy Atom Count	37.0
Classyfire Class	Tannins
Scaffold Graph Node Level	C1CCC2CC3OCOC3CC2C2CCCCC2C1
Classyfire Subclass	Hydrolyzable tannins
Isotope Atom Count	0.0
Molecular Complexity	832.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	3.0
Iupac Name	[(8S,9S,10S)-9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl] (Z)-2-methylbut-2-enoate
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Phenylpropanoids and polyketides
Xlogp	4.6
Gsk 4 400 Rule	False
Molecular Formula	C28H34O9
Scaffold Graph Node Bond Level	c1ccc2c(c1)CCCCc1cc3c(cc1-2)OCO3
Prediction Swissadme	0.0
Inchi Key	BKGUPIVDQHHVMV-RZGKOBFOSA-N
Silicos It Class	Poorly soluble
Fcsp3	0.4642857142857143
Logs	-4.801
Rotatable Bond Count	7.0
Logd	3.312
Synonyms	gomisin b
Esol Class	Moderately soluble
Functional Groups	C/C=C(/C)C(=O)OC, CO, c1cOCO1, cOC
Compound Name	Schisantherin B
Prediction Hob Swissadme	0.0
Exact Mass	514.22
Formal Charge	0.0
Monoisotopic Mass	514.22
Hydrogen Bond Acceptor Count	9.0
Molecular Weight	514.6
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	3.0
Total Bond Stereocenter Count	1.0
Lipinski Rule Of 5	True
Esol	-5.681140200000002
Inchi	InChI=1S/C28H34O9/c1-9-14(2)27(29)37-26-17-12-18(31-5)22(32-6)25(34-8)21(17)20-16(10-15(3)28(26,4)30)11-19-23(24(20)33-7)36-13-35-19/h9,11-12,15,26,30H,10,13H2,1-8H3/b14-9-/t15-,26-,28-/m0/s1
Smiles	C/C=C(/C)\C(=O)O[C@H]1C2=CC(=C(C(=C2C3=C(C4=C(C=C3C[C@@H]([C@]1(C)O)C)OCO4)OC)OC)OC)OC
Nring	4.0
Np Classifier Biosynthetic Pathway	Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count	1.0
Egan Rule	True
Np Classifier Superclass	Lignans

1. Outgoing r'ship FOUND_IN to/from Abelia Chinensis (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Actinidia Chinensis (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Aesculus Chinensis (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Agave Angustifolia (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Albizia Chinensis (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Albizzia Chinensis (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Aloe Vera (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Alpinia Chinensis (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Alstonia Angustifolia (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Anthocephalus Chinensis (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Aralia Chinensis (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Araucaria Angustifolia (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Artemisia Chinensis (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Artemisia Mexicana (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Arundina Chinensis (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Astilbe Chinensis (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Atractylodes Chinensis (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Aucuba Chinensis (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Baccharis Angustifolia (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Baccharis Neglecta (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Backhousia Angustifolia (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Belamcanda Chinensis (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Blumea Chinensis (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Boerhavia Chinensis (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Breonia Chinensis (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Buchanania Angustifolia (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Canna Coccinea (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Cassia Angustifolia (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Clematis Angustifolia (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Clematis Chinensis (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Colquhounia Coccinea (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Coptis Chinensis (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Cryptocarya Chinensis (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Cucurma Angustifolia (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Curcuma Angustifolia (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Cuscuta Chinensis (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Cyanostegia Angustifolia (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Dahlia Coccinea (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Desmos Chinensis (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Dianthus Chinensis (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Dicliptera Chinensis (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Dodonaea Angustifolia (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Dracaena Angustifolia (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Dracena Angustifolia (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Echinacea Angustifolia (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Elaeagnus Angustifolia (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Emilia Coccinea (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Eremurus Chinensis (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Fraxinus Angustifolia (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Fraxinus Chinensis (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Gomphia Angustifolia (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Guadua Angustifolia (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Helicteres Angustifolia (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Hortonia Angustifolia (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Hydrangea Chinensis (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Impatiens Angustifolia (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Impatiens Chinensis (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Inula Britannica (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Ipomoea Coccinea (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Ipomoea Rubriflora (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Iris Lactea (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Isodon Angustifolia (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Ixeris Chinensis (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Ixora Chinensis (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Ixora Coccinea (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Juniperus Chinensis (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Kadsura Ananosma (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Kadsura Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
69. Outgoing r'ship FOUND_IN to/from Kadsura Coccinea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
70. Outgoing r'ship FOUND_IN to/from Kadsura Heteroclita (Plant) Rel Props:Reference:ISBN:9788172362461
71. Outgoing r'ship FOUND_IN to/from Kadsura Interior (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Kadsura Japonica (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Kadsura Lancilimba (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Kadsura Longipedunculata (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Kadsura Peltigera (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Kaempferia Angustifolia (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Kielmeyera Rubriflora (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Klaseopsis Chinensis (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Lavandula Angustifolia (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Listea Chinensis (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Litchi Chinensis (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Lobelia Chinensis (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Lonicera Angustifolia (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Malva Neglecta (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Matsumurella Chinensis (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Morinda Angustifolia (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Mosla Chinensis (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Odontosoria Chinensis (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Ophelia Angustifolia (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Osbeckia Chinensis (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Paederia Chinensis (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Passiflora Coccinea (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Persicaria Chinensis (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Piper Kadsura (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Pistacia Chinensis (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Polygala Chinensis (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Populus Angustifolia (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Potentilla Chinensis (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Pothos Chinensis (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Pulicaria Angustifolia (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Pulsatilla Chinensis (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Pyracantha Coccinea (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Rabdosia Angustifolia (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Rhodiola Coccinea (Plant) Rel Props:Reference:
105. Outgoing r'ship FOUND_IN to/from Rhus Chinensis (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Rosa Chinensis (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Ruta Angustifolia (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Salacia Chinensis (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Salvia Coccinea (Plant) Rel Props:Reference:
110. Outgoing r'ship FOUND_IN to/from Saururus Chinensis (Plant) Rel Props:Reference:
111. Outgoing r'ship FOUND_IN to/from Schisandra Arisanensis (Plant) Rel Props:Reference:
112. Outgoing r'ship FOUND_IN to/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
113. Outgoing r'ship FOUND_IN to/from Schisandra Glaucescens (Plant) Rel Props:Reference:
114. Outgoing r'ship FOUND_IN to/from Schisandra Grandiflora (Plant) Rel Props:Reference:
115. Outgoing r'ship FOUND_IN to/from Schisandra Henryi (Plant) Rel Props:Reference:
116. Outgoing r'ship FOUND_IN to/from Schisandra Lancifolia (Plant) Rel Props:Reference:
117. Outgoing r'ship FOUND_IN to/from Schisandra Micrantha (Plant) Rel Props:Reference:
118. Outgoing r'ship FOUND_IN to/from Schisandra Neglecta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
119. Outgoing r'ship FOUND_IN to/from Schisandra Nigra (Plant) Rel Props:Reference:
120. Outgoing r'ship FOUND_IN to/from Schisandra Propinqua (Plant) Rel Props:Reference:
121. Outgoing r'ship FOUND_IN to/from Schisandra Rubriflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
122. Outgoing r'ship FOUND_IN to/from Schisandra Sphaerandra (Plant) Rel Props:Reference:
123. Outgoing r'ship FOUND_IN to/from Schisandra Sphenanthera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
124. Outgoing r'ship FOUND_IN to/from Scolopia Chinensis (Plant) Rel Props:Reference:
125. Outgoing r'ship FOUND_IN to/from Senecio Chinensis (Plant) Rel Props:Reference:
126. Outgoing r'ship FOUND_IN to/from Simmondsia Chinensis (Plant) Rel Props:Reference:
127. Outgoing r'ship FOUND_IN to/from Siphonostegia Chinensis (Plant) Rel Props:Reference:
128. Outgoing r'ship FOUND_IN to/from Solidago Chinensis (Plant) Rel Props:Reference:
129. Outgoing r'ship FOUND_IN to/from Sophora Angustifolia (Plant) Rel Props:Reference:
130. Outgoing r'ship FOUND_IN to/from Sphenomeris Chinensis (Plant) Rel Props:Reference:
131. Outgoing r'ship FOUND_IN to/from Stachys Chinensis (Plant) Rel Props:Reference:
132. Outgoing r'ship FOUND_IN to/from Stauntonia Chinensis (Plant) Rel Props:Reference:
133. Outgoing r'ship FOUND_IN to/from Suregada Angustifolia (Plant) Rel Props:Reference:
134. Outgoing r'ship FOUND_IN to/from Swertia Angustifolia (Plant) Rel Props:Reference:
135. Outgoing r'ship FOUND_IN to/from Swertia Chinensis (Plant) Rel Props:Reference:
136. Outgoing r'ship FOUND_IN to/from Symplocos Chinensis (Plant) Rel Props:Reference:
137. Outgoing r'ship FOUND_IN to/from Tamarix Chinensis (Plant) Rel Props:Reference:
138. Outgoing r'ship FOUND_IN to/from Taxillus Chinensis (Plant) Rel Props:Reference:
139. Outgoing r'ship FOUND_IN to/from Taxus Chinensis (Plant) Rel Props:Reference:
140. Outgoing r'ship FOUND_IN to/from Thermopsis Chinensis (Plant) Rel Props:Reference:
141. Outgoing r'ship FOUND_IN to/from Thunbergia Coccinea (Plant) Rel Props:Reference:
142. Outgoing r'ship FOUND_IN to/from Tricholepis Angustifolia (Plant) Rel Props:Reference:
143. Outgoing r'ship FOUND_IN to/from Trollius Chinensis (Plant) Rel Props:Reference:
144. Outgoing r'ship FOUND_IN to/from Tsuga Chinensis (Plant) Rel Props:Reference:
145. Outgoing r'ship FOUND_IN to/from Tupistra Chinensis (Plant) Rel Props:Reference:
146. Outgoing r'ship FOUND_IN to/from Turnera Angustifolia (Plant) Rel Props:Reference:
147. Outgoing r'ship FOUND_IN to/from Typha Angustifolia (Plant) Rel Props:Reference:
148. Outgoing r'ship FOUND_IN to/from Wedelia Chinensis (Plant) Rel Props:Reference:
149. Outgoing r'ship FOUND_IN to/from Wrightia Coccinea (Plant) Rel Props:Reference:
150. Outgoing r'ship FOUND_IN to/from Zamia Angustifolia (Plant) Rel Props:Reference:

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Schisantherin B

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Phytochemical Properties

Associated Connections 150

Plant Connections 150