Summary

IMPPAT Phytochemical identifier: IMPHY004214

Phytochemical name: Saikogenin F

Synonymous chemical names:
saikogenin f

External chemical identifiers:
CID:21594261, ChEMBL:CHEMBL3542345, ZINC:ZINC000115109209, SureChEMBL:SCHEMBL1046332

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Chemical structure information

SMILES:
OC[C@]1(C)[C@@H](O)CC[C@]2([C@H]1CC[C@@]1([C@@H]2C=C[C@]23[C@@]1(C)C[C@H](O)[C@@]1([C@H]3CC(CC1)(C)C)CO2)C)C

InChI:
InChI=1S/C30H48O4/c1-24(2)13-14-29-18-34-30(21(29)15-24)12-8-20-25(3)10-9-22(32)26(4,17-31)19(25)7-11-27(20,5)28(30,6)16-23(29)33/h8,12,19-23,31-33H,7,9-11,13-18H2,1-6H3/t19-,20-,21-,22+,23+,25+,26+,27-,28+,29-,30+/m1/s1

InChIKey:
IUBQSOTVBGNWDI-CUMBFETHSA-N

DeepSMILES:
OC[C@]C)[C@@H]O)CC[C@][C@H]6CC[C@@][C@@H]6C=C[C@@][C@@]6C)C[C@H]O)[C@@][C@H]6CCCC6))C)C))))CO7))))))))))C)))))C

Functional groups:
CC=CC, CO, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC23OCC4(CCCCC42)CCC3C2CCC3CCCCC3C12

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C2CCC23OCC4(CCCCC42)CCC13

Scaffold Graph level:
C1CCC2C(C1)CCC1C2CCC23CCC4(CCCCC42)CCC13

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Triterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Triterpenoids

NP Classifier Class: Oleanane triterpenoids

NP-Likeness score: 3.377

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Chemical structure download