Summary

IMPPAT Phytochemical identifier: IMPHY014721

Phytochemical name: 1-epi-Bicyclosesquiphellandrene

Synonymous chemical names:
1-epibicyclosesquiphellandrene, bicyclosesqui-phellandrene, bicyclosesquiphellandrene, bicyclosesquiphellandrene (=trans-muurola-4(14),5-diene), i-epi-bicyclosesquiphellandrene

External chemical identifiers:
CID:521496

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Chemical structure information

SMILES:
C=C1CCC2C(=C1)C(CCC2C)C(C)C

InChI:
InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,12-14H,3,5-8H2,1-2,4H3

InChIKey:
RNDFUOKDULDZPR-UHFFFAOYSA-N

DeepSMILES:
C=CCCCC=C6)CCCC6C))))CC)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C=C2CCCCC2CC1

Scaffold Graph/Node level:
CC1CCC2CCCCC2C1

Scaffold Graph level:
CC1CCC2CCCCC2C1

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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: 2.835

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Chemical structure download