Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID012073

Phytochemical name: 1,2-Epoxy-1,2-dihydrolycopene

Synonymous chemical names:
1,2-epoxy-1,2-dihydrolycopene, lycopene 1,2-epoxide, lycopene-1,2-epoxide

External chemical identifiers:
CID:CID_131751672, ChEBI:CHEBI:176031

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Chemical structure information

SMILES:
C/C(=C\C=C\C=C(\C=C\C=C(/C=C/C=C(\CCC1OC1(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)18-13-21-35(5)24-16-27-36(6)25-14-22-33(3)19-11-12-20-34(4)23-15-26-37(7)28-17-29-38(8)30-31-39-40(9,10)41-39/h11-12,14-20,22-29,39H,13,21,30-31H2,1-10H3/b12-11+,22-14-,23-15+,27-16+,28-17+,33-19+,34-20+,35-24-,36-25+,37-26-,38-29-

InChIKey:
GTXHICADEVOUIY-WUEAKHORSA-N

DeepSMILES:
C/C=C\C=C\C=C\C=C\C=C/C=C/C=C\CCCOC3C)C))))))/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\C=C(/C)C, CC1OC1(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: 1.607

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Chemical structure download