Summary

IMPPAT Phytochemical identifier: IMPHY014817

Phytochemical name: Aromadendrene

Synonymous chemical names:
allaormadendrene, allo-aromadenarene, allo-aromadenderene, aroma dendrene, aromadcndrene, aromaden drene, aromadenderene, aromadendranes, aromadendren, aromadendrene, aromadendrene*, arornadendrene, decahydro-1,7,7-trimethyl-4-methylene-1-h-cycloprop[e]azulene

External chemical identifiers:
CID:91354, ChEBI:145743, SureChEMBL:SCHEMBL17627675

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Chemical structure information

SMILES:
CC1CCC2C1C1C(C1(C)C)CCC2=C

InChI:
InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10-14H,1,5-8H2,2-4H3

InChIKey:
ITYNGVSTWVVPIC-UHFFFAOYSA-N

DeepSMILES:
CCCCCC5CCC3C)C))CCC7=C

Functional groups:
C=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2CC2C2CCCC12

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: 3.363

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Chemical structure download