Summary

IMPPAT Phytochemical identifier: IMPHY016503

Phytochemical name: Acora-4,10-diene

Synonymous chemical names:
acorα-3(10),14-diene

External chemical identifiers:
CID:6429134

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Chemical structure information

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

InChI:
InChI=1S/C15H24/c1-11(2)14-6-5-13(4)15(14)9-7-12(3)8-10-15/h7,11,14H,4-6,8-10H2,1-3H3

InChIKey:
QZGRYPDXCBFNRS-UHFFFAOYSA-N

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

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC12CC=CCC2

Scaffold Graph/Node level:
CC1CCCC12CCCCC2

Scaffold Graph level:
CC1CCCC12CCCCC2

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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: 3.055

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Chemical structure download