Summary

IMPPAT Phytochemical identifier: IMPHY008509

Phytochemical name: Isofucosterol glucoside

Synonymous chemical names:
isofucosterol glucoside

External chemical identifiers:
CID:12895797, ChEBI:172750

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Chemical structure information

SMILES:
OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CCC3C(CC/C(=CC)/C(C)C)C)C)C2)C)C(C(C1O)O)O

InChI:
InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h7,10,20-21,24-33,36-39H,8-9,11-19H2,1-6H3/b22-7+

InChIKey:
FHEBKVQDISXEGI-QPJQQBGISA-N

DeepSMILES:
OCCOCOCCCCC=CCCC6CCCC6CCC5CCC/C=CC))/CC)C)))))C))))))C))))))))C6))C))))))CCC6O))O))O

Functional groups:
C/C=C(C)C, CC=C(C)C, CO, COC(C)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CC(OC3CCCCO3)CCC2C2CCC3CCCC3C2C1

Scaffold Graph/Node level:
C1CCC(OC2CCC3C(CCC4C5CCCC5CCC34)C2)OC1

Scaffold Graph level:
C1CCC(CC2CCC3C(CCC4C5CCCC5CCC34)C2)CC1

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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: Stigmastanes and derivatives

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Steroids

NP Classifier Class: Stigmastane steroids

NP-Likeness score: 2.847

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Chemical structure download