Summary

IMPPAT Phytochemical identifier: IMPHY015604

Phytochemical name: (-)-Dehydroaromadendrene

Synonymous chemical names:
dehydroaromadendrane

External chemical identifiers:
CID:526687

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Chemical structure information

SMILES:
CC1CCC2C1C1C(C1(C)C)C=CC2=C

InChI:
InChI=1S/C15H22/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h6,8,10-14H,1,5,7H2,2-4H3

InChIKey:
OXBYVYGWWRTWMD-UHFFFAOYSA-N

DeepSMILES:
CCCCCC5CCC3C)C))C=CC7=C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C=CC2CC2C2CCCC12

Scaffold Graph/Node level:
CC1CCC2CC2C2CCCC12

Scaffold Graph level:
CC1CCC2CC2C2CCCC12

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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: 2.98

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Chemical structure download