Summary

IMPPAT Phytochemical identifier: IMPHY015752

Phytochemical name: Isoaromadendrene epoxide

Synonymous chemical names:
(iso)-aromadendrene epoxide, iso aromadendrene epoxide, iso-aromadendrene epoxide, isoaromadendrene epoxide

External chemical identifiers:
CID:534398

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Chemical structure information

SMILES:
CC1CCC2C1C1C(C1(C)C)CC1C2(C)O1

InChI:
InChI=1S/C15H24O/c1-8-5-6-9-12(8)13-10(14(13,2)3)7-11-15(9,4)16-11/h8-13H,5-7H2,1-4H3

InChIKey:
GLKQAHXBJLGAFT-UHFFFAOYSA-N

DeepSMILES:
CCCCCC5CCC3C)C))CCC7C)O3

Functional groups:
CC1OC1(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2C3CC3CC3OC3C2C1

Scaffold Graph/Node level:
C1CC2C3CC3CC3OC3C2C1

Scaffold Graph level:
C1CC2C3CC3CC3CC3C2C1

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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: Aromadendrane sesquiterpenoids

NP-Likeness score: 3.493

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Chemical structure download