Summary

IMPPAT Phytochemical identifier: IMPHY007481

Phytochemical name: Dehydrololiolide

Synonymous chemical names:
dehydrololiolide

External chemical identifiers:
CID:9815531, FDASRS:G0MGI87MHI

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Chemical structure information

SMILES:
O=C1C=C2C(O1)(C)CC(=O)CC2(C)C

InChI:
InChI=1S/C11H14O3/c1-10(2)5-7(12)6-11(3)8(10)4-9(13)14-11/h4H,5-6H2,1-3H3

InChIKey:
DJSMGUVSIWKZJW-UHFFFAOYSA-N

DeepSMILES:
O=CC=CCO5)C)CC=O)CC6C)C

Functional groups:
CC(C)=O, CC1=CC(=O)OC1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2=CC(=O)OC2C1

Scaffold Graph/Node level:
OC1CCC2CC(O)OC2C1

Scaffold Graph level:
CC1CCC2CC(C)CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzofurans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Apocarotenoids

NP Classifier Class: Apocarotenoids (β-)

NP-Likeness score: 1.99

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Chemical structure download