Summary

IMPPAT Phytochemical identifier: IMPHY015169

Phytochemical name: 14-Oxy-alpha-muurolene

Synonymous chemical names:
14-oxy-α-muurolene

External chemical identifiers:
CID:91746681

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Chemical structure information

SMILES:
O=CC1=CCC(C2C1CCC(=C2)C)C(C)C

InChI:
InChI=1S/C15H22O/c1-10(2)13-7-5-12(9-16)14-6-4-11(3)8-15(13)14/h5,8-10,13-15H,4,6-7H2,1-3H3

InChIKey:
DNHAZRYDTSOZHV-UHFFFAOYSA-N

DeepSMILES:
O=CC=CCCCC6CCC=C6)C))))))CC)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCC=CC2CC1

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: Cadinane sesquiterpenoids

NP-Likeness score: 3.01

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Chemical structure download