Summary

IMPPAT Phytochemical identifier: IMPHY006496

Phytochemical name: Ebanol

Synonymous chemical names:
marsupol

External chemical identifiers:
CID:6437266, SureChEMBL:SCHEMBL1773345

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Chemical structure information

SMILES:
CC(C(/C=CC1CC=C(C1(C)C)C)C)O

InChI:
InChI=1S/C14H24O/c1-10(12(3)15)6-8-13-9-7-11(2)14(13,4)5/h6-8,10,12-13,15H,9H2,1-5H3/b8-6-

InChIKey:
RNLHVODSMDJCBR-VURMDHGXSA-N

DeepSMILES:
CCC/C=CCCC=CC5C)C))C)))))))C))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCC1

Scaffold Graph/Node level:
C1CCCC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Apocarotenoids

NP Classifier Class: Apocarotenoids(ε-)

NP-Likeness score: 2.377

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Chemical structure download