Summary

IMPPAT Phytochemical identifier: IMPHY017295

Phytochemical name: 6-Isopropenyl-4,8a-dimethyldecahydro-1-naphthalenol

Synonymous chemical names:
5.beta.,7.beta.h,10.alpha.-eudesm- 11-en-1.alpha.-ol, 5beta,7betah,10alpha-eudesm-11-en-1alpha-ol

External chemical identifiers:
CID:494439, SureChEMBL:SCHEMBL20008783

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Chemical structure information

SMILES:
CC1CCC(C2(C1CC(CC2)C(=C)C)C)O

InChI:
InChI=1S/C15H26O/c1-10(2)12-7-8-15(4)13(9-12)11(3)5-6-14(15)16/h11-14,16H,1,5-9H2,2-4H3

InChIKey:
SZJYIPBMAVTAPS-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC6CCCC6))C=C)C)))))C))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2CCCCC2C1

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: 2.994

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Chemical structure download