Summary

IMPPAT Phytochemical identifier: IMPHY017617

Phytochemical name: Acora-4,9-diene

Synonymous chemical names:
acora-4,9-diene

External chemical identifiers:
CID:6429135

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Chemical structure information

SMILES:
CC1=CCC2(CC1)C(=CCC2C(C)C)C

InChI:
InChI=1S/C15H24/c1-11(2)14-6-5-13(4)15(14)9-7-12(3)8-10-15/h5,7,11,14H,6,8-10H2,1-4H3

InChIKey:
ZZDYAQRLRNJKBO-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCC6))C=CCC5CC)C)))))C

Functional groups:
CC=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCC2(C=CCC2)CC1

Scaffold Graph/Node level:
C1CCC2(CC1)CCCC2

Scaffold Graph level:
C1CCC2(CC1)CCCC2

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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: Acorane sesquiterpenoids

NP-Likeness score: 2.884

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Chemical structure download