Summary

IMPPAT Phytochemical identifier: IMPHY013547

Phytochemical name: 25-Methylgramisterol

Synonymous chemical names:
25-methylgramisterol

External chemical identifiers:
CID:85601429, ChEBI:175444

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Chemical structure information

SMILES:
CC(C1CCC2C1(C)CCC1C2=CCC2C1(C)CCC(C2C)O)CCC(=C)C(C)(C)C

InChI:
InChI=1S/C30H50O/c1-19(9-10-20(2)28(4,5)6)23-13-14-25-22-11-12-24-21(3)27(31)16-18-30(24,8)26(22)15-17-29(23,25)7/h11,19,21,23-27,31H,2,9-10,12-18H2,1,3-8H3

InChIKey:
KRMCRDNDVNGZDL-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC5C)CCCC6=CCCC6C)CCCC6C))O)))))))))))))))))CCC=C)CC)C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2C3CCCC3CCC2C2CCCCC2C1

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: Ergostane steroids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Steroids

NP Classifier Class: Ergostane steroids

NP-Likeness score: 2.79

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Chemical structure download