Summary

IMPPAT Phytochemical identifier: IMPHY008915

Phytochemical name: (all-E)-6'-Apo-y-caroten-6'-al

Synonymous chemical names:
apo-6'-lycopenal, apo-6'-lycopenal(6'-apo-4-carotene-6'-al), apo-6’-lycopenal

External chemical identifiers:
CID:20055192, ChEBI:176126, ZINC:ZINC000013371180, SureChEMBL:SCHEMBL38962

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Chemical structure information

SMILES:
O=C/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/CCC=C(C)C)C)C)C)/C)/C

InChI:
InChI=1S/C32H42O/c1-27(2)15-10-18-30(5)21-13-23-31(6)22-11-19-28(3)16-8-9-17-29(4)20-12-24-32(7)25-14-26-33/h8-9,11-17,19-26H,10,18H2,1-7H3/b9-8+,19-11+,20-12+,23-13+,25-14+,28-16+,29-17+,30-21+,31-22+,32-24+

InChIKey:
ZXEPHOYZDSLBJV-CQOAVJQGSA-N

DeepSMILES:
O=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/CCC=CC)C)))))C)))))C)))))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=O, CC=C(C)C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Triterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Apocarotenoids

NP Classifier Class: Apocarotenoids (Ψ-)

NP-Likeness score: 1.507

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Chemical structure download