Summary

IMPPAT Phytochemical identifier: IMPHY017634

Phytochemical name: Muurola-4,11-diene

Synonymous chemical names:
muurola-4,11-diene

External chemical identifiers:
CID:6429206

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Chemical structure information

SMILES:
CC1CCC2C(=C(CCC2C)C(=C)C)C1

InChI:
InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h11-12,14H,1,5-9H2,2-4H3

InChIKey:
BDGCRWMOCSWZSC-UHFFFAOYSA-N

DeepSMILES:
CCCCCC=CCCC6C))))C=C)C)))C6

Functional groups:
C=C(C)C(C)=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCCCC2CCC1

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: Guaiane sesquiterpenoids

NP-Likeness score: 2.08

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Chemical structure download