Summary

IMPPAT Phytochemical identifier: IMPHY017931

Phytochemical name: Gynuradienol

Synonymous chemical names:
gynuradienol

Chemical structure information

SMILES:
C[C@@H]1CCC[C@@]2(C1=CC(=CC2)C(O)(C)C)C

InChI:
InChI=1S/C15H24O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h7,10-11,16H,5-6,8-9H2,1-4H3/t11-,15+/m1/s1

InChIKey:
SCFWEZZRBBRNAV-ABAIWWIYSA-N

DeepSMILES:
C[C@@H]CCC[C@@]C6=CC=CC6))CO)C)C)))))C

Functional groups:
CC1=CCCC(C)=C1, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCC2CCCCC2=C1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Eudesmane sesquiterpenoids

NP-Likeness score: 1.967

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Chemical structure download