Summary

IMPPAT Phytochemical identifier: IMPHY013279

Phytochemical name: Lycopene 5,6-epoxide

Synonymous chemical names:
lycopene 5,6-epoxide, lycopene-5,6-epoxide

External chemical identifiers:
CID:15834788, SureChEMBL:SCHEMBL2838506

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Chemical structure information

SMILES:
C/C(=CC=CC=C(C=CC=C(C=CC1OC1(C)CCC=C(C)C)/C)/C)/C=C/C=C(/C=C/C=C(/CCC=C(C)C)C)C

InChI:
InChI=1S/C40H56O/c1-32(2)18-13-22-36(7)25-15-27-37(8)26-14-23-34(5)20-11-12-21-35(6)24-16-28-38(9)29-30-39-40(10,41-39)31-17-19-33(3)4/h11-12,14-16,18-21,23-30,39H,13,17,22,31H2,1-10H3/b12-11+,23-14+,24-16+,27-15+,30-29+,34-20+,35-21+,36-25+,37-26+,38-28+

InChIKey:
KAOPTJGOSUTKJR-RGZXCSNFSA-N

DeepSMILES:
C/C=CC=CC=CC=CC=CC=CCOC3C)CCC=CC)C))))))))))/C)))))/C))))))/C=C/C=C/C=C/C=C/CCC=CC)C)))))C)))))C

Functional groups:
C/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1OC1(C)C, CC=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CO1

Scaffold Graph/Node level:
C1CO1

Scaffold Graph level:
C1CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquaterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Carotenoids (C40)

NP Classifier Class: Carotenoids (C40, Ψ-Ψ)

NP-Likeness score: 1.617

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Chemical structure download