Summary

IMPPAT Phytochemical identifier: IMPHY010888

Phytochemical name: Tenasogenin

Synonymous chemical names:
tenasogenin

External chemical identifiers:
CID:101277354

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Chemical structure information

SMILES:
O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2[C@H](OC(=O)C=C(C)C)[C@@H](O)[C@]2([C@@]3(O)CC[C@@H]2[C@H](O)C)C)C1)C

InChI:
InChI=1S/C26H40O6/c1-14(2)12-20(29)32-22-21-19(7-6-16-13-17(28)8-10-24(16,21)4)26(31)11-9-18(15(3)27)25(26,5)23(22)30/h6,12,15,17-19,21-23,27-28,30-31H,7-11,13H2,1-5H3/t15-,17+,18-,19-,21-,22+,23-,24+,25+,26-/m1/s1

InChIKey:
PVDJUIWLHWTBRV-VDWRPZLESA-N

DeepSMILES:
O[C@H]CC[C@]C=CC[C@@H][C@@H]6[C@H]OC=O)C=CC)C)))))[C@@H]O)[C@][C@@]6O)CC[C@@H]5[C@H]O)C))))))C))))))))C6))C

Functional groups:
CC(C)=CC(=O)OC, CC=C(C)C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCCCC2C2CCC3CCCC3C2C1

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Steroids and steroid derivatives

ClassyFire Subclass: Pregnane steroids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Steroids

NP Classifier Class: Pregnane steroids

NP-Likeness score: 2.96

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Chemical structure download