Summary

IMPPAT Phytochemical identifier: IMPHY017592

Phytochemical name: 13-nor-Eudesm-4,6-dien-11-one

Synonymous chemical names:
13-nor-eudesma-4,6-dien-11-one

External chemical identifiers:
CID:6428351, ZINC:ZINC000032165020

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Chemical structure information

SMILES:
CC1=C2C=C(CC[C@@]2(CCC1)C)C(=O)C

InChI:
InChI=1S/C14H20O/c1-10-5-4-7-14(3)8-6-12(11(2)15)9-13(10)14/h9H,4-8H2,1-3H3/t14-/m0/s1

InChIKey:
MHDZZWJRZISHQQ-AWEZNQCLSA-N

DeepSMILES:
CC=CC=CCC[C@@]6CCC%10)))C))))C=O)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2=CCCCC2CC1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Eudesmane sesquiterpenoids

NP-Likeness score: 2.046

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Chemical structure download