Summary

IMPPAT Phytochemical identifier: IMPHY016857

Phytochemical name: Stigmastan-3,5-diene

Synonymous chemical names:
stigmastan-3,5-diene

External chemical identifiers:
CID:525918

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Chemical structure information

SMILES:
CCC(C(C)C)CCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC=C2)C

InChI:
InChI=1S/C29H48/c1-7-22(20(2)3)12-11-21(4)25-15-16-26-24-14-13-23-10-8-9-18-28(23,5)27(24)17-19-29(25,26)6/h8,10,13,20-22,24-27H,7,9,11-12,14-19H2,1-6H3

InChIKey:
ICCTZARHLGPHMT-UHFFFAOYSA-N

DeepSMILES:
CCCCC)C))CCCCCCCC5C)CCCC6CC=CC6C)CCC=C6)))))))))))))))))C

Functional groups:
CC=CC(C)=CC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2=CCC3C4CCCC4CCC3C2CC1

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: 2.786

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Chemical structure download