Summary

IMPPAT Phytochemical identifier: IMPHY007264

Phytochemical name: 13-nor-trans-Eudesma-4(15),7-dien-11-one

Synonymous chemical names:
13-nor-trans-eudesma-4(15),7-dien-11-one

External chemical identifiers:
CID:91749517

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Chemical structure information

SMILES:
C=C1CCC[C@@]2([C@@H]1CC(=CC2)C(=O)C)C

InChI:
InChI=1S/C14H20O/c1-10-5-4-7-14(3)8-6-12(11(2)15)9-13(10)14/h6,13H,1,4-5,7-9H2,2-3H3/t13-,14+/m1/s1

InChIKey:
TUDQWZYQYYRFMJ-KGLIPLIRSA-N

DeepSMILES:
C=CCCC[C@@][C@@H]6CC=CC6))C=O)C)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC2CC=CCC12

Scaffold Graph/Node level:
CC1CCCC2CCCCC12

Scaffold Graph level:
CC1CCCC2CCCCC12

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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: 2.788

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Chemical structure download