Summary

IMPPAT Phytochemical identifier: IMPHY000109

Phytochemical name: Ubiquinone

Synonymous chemical names:
ubiquinone, ubiquinones

External chemical identifiers:
CID:1062

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Chemical structure information

SMILES:
COc1c(O)c(CC=C(CCC=C(C)C)C)c(c(c1OC)O)C

InChI:
InChI=1S/C19H28O4/c1-12(2)8-7-9-13(3)10-11-15-14(4)16(20)18(22-5)19(23-6)17(15)21/h8,10,20-21H,7,9,11H2,1-6H3

InChIKey:
RNUCUWWMTTWKAH-UHFFFAOYSA-N

DeepSMILES:
COccO)cCC=CCCC=CC)C)))))C))))ccc6OC)))O))C

Functional groups:
CC=C(C)C, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Quinone and hydroquinone lipids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Meroterpenoids

NP Classifier Class: Prenyl quinone meroterpenoids

NP-Likeness score: 2.027

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Chemical structure download