Summary

IMPPAT Phytochemical identifier: IMPHY007837

Phytochemical name: Dehydroipomeamarone

Synonymous chemical names:
dehydroipomeamarone

External chemical identifiers:
CID:92143153, ZINC:ZINC000000898805, FDASRS:T822N232NM

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Chemical structure information

SMILES:
CC(=CC(=O)C[C@]1(C)CC[C@@H](O1)c1cocc1)C

InChI:
InChI=1S/C15H20O3/c1-11(2)8-13(16)9-15(3)6-4-14(18-15)12-5-7-17-10-12/h5,7-8,10,14H,4,6,9H2,1-3H3/t14-,15+/m1/s1

InChIKey:
QQYXBLIHHIHFCW-CABCVRRESA-N

DeepSMILES:
CC=CC=O)C[C@]C)CC[C@@H]O5)ccocc5))))))))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cc(C2CCCO2)co1

Scaffold Graph/Node level:
C1COC(C2CCOC2)C1

Scaffold Graph level:
C1CCC(C2CCCC2)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Heteroaromatic compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP-Likeness score: 2.688

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Chemical structure download