Summary

IMPPAT Phytochemical identifier: IMPHY008933

Phytochemical name: 24-Ethyllophenol

Synonymous chemical names:
24,ethyllophenol, 24-(r)-ethyl-lophenol, 24-ethyl-lophenol, 24-ethyllophenol

External chemical identifiers:
CID:541368, ChEBI:173034, SureChEMBL:SCHEMBL10001889

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Chemical structure information

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

InChI:
InChI=1S/C30H52O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h11,19-22,24-28,31H,8-10,12-18H2,1-7H3

InChIKey:
IYIFZADLIMVECH-UHFFFAOYSA-N

DeepSMILES:
CCCCC)C))CCCCCCCC5C)CCCC6=CCCC6C)CCCC6C))O)))))))))))))))))C

Functional groups:
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: Stigmastanes and derivatives

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Steroids

NP Classifier Class: Stigmastane steroids

NP-Likeness score: 2.842

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Chemical structure download