Summary

IMPPAT Phytochemical identifier: IMPHY017933

Phytochemical name: Dehydrojinkoh-eremol

Synonymous chemical names:
dehydrojinkoh-eremol

Chemical structure information

SMILES:
CC1CC=CC2=CCC(CC12C)C(O)(C)C

InChI:
InChI=1S/C15H24O/c1-11-6-5-7-12-8-9-13(14(2,3)16)10-15(11,12)4/h5,7-8,11,13,16H,6,9-10H2,1-4H3

InChIKey:
WINATCPPCIWJCQ-UHFFFAOYSA-N

DeepSMILES:
CCCC=CC=CCCCC%106C)))CO)C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2=CCCCC2CC1

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: Eremophilane sesquiterpenoids

NP-Likeness score: 3.073

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Chemical structure download