Summary

IMPPAT Phytochemical identifier: IMPHY016518

Phytochemical name: Aromadendrene, dehydro-

Synonymous chemical names:
aromadendrene, dehydro-

External chemical identifiers:
CID:589433, ChEBI:167346

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Chemical structure information

SMILES:
CC1CC=C2C1C1C(C1(C)C)CCC2=C

InChI:
InChI=1S/C15H22/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h7,10,12-14H,1,5-6,8H2,2-4H3

InChIKey:
WILLVGWOOMVDNT-UHFFFAOYSA-N

DeepSMILES:
CCCC=CC5CCC3C)C))CCC7=C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2CC2C2CCC=C12

Scaffold Graph/Node level:
CC1CCC2CC2C2CCCC12

Scaffold Graph level:
CC1CCC2CC2C2CCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Branched unsaturated hydrocarbons

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Aromadendrane sesquiterpenoids

NP-Likeness score: 2.969

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Chemical structure download