Summary

IMPPAT Phytochemical identifier: IMPHY000257

Phytochemical name: Crocetin dialdehyde

Synonymous chemical names:
8, 8'-diapocarotenedial (crocetin dialdehyde), 8, 8’-diapocarotenedial (crocetin dialdehyde), crocetin dialdehyde

External chemical identifiers:
CID:11109238, ChEBI:53166, ZINC:ZINC000038259026, SureChEMBL:SCHEMBL2616645

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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=O)C)C)/C)/C

InChI:
InChI=1S/C20H24O2/c1-17(11-7-13-19(3)15-21)9-5-6-10-18(2)12-8-14-20(4)16-22/h5-16H,1-4H3/b6-5+,11-7+,12-8+,17-9+,18-10+,19-13+,20-14+

InChIKey:
YHCIKUXPWFLCFN-QHUUTLAPSA-N

DeepSMILES:
O=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=O))C)))))C))))))/C)))))/C

Functional groups:
C/C(C=O)=CC=CC(C)=CC=CC=C(C)C=CC=C(/C)C=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Diterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Apocarotenoids

NP Classifier Class: Miscellaneous apocarotenoids

NP-Likeness score: 1.259

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Chemical structure download