Summary

IMPPAT Phytochemical identifier: IMPHY001308

Phytochemical name: Retinol

Synonymous chemical names:
retinol, vitamin a

External chemical identifiers:
CID:445354, ChEMBL:CHEMBL986, ChEBI:17336, ZINC:ZINC000003831417, FDASRS:G2SH0XKK91, SureChEMBL:SCHEMBL3112, MolPort-001-785-962

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Chemical structure information

SMILES:
OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)C)C

InChI:
InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+

InChIKey:
FPIPGXGPPPQFEQ-OVSJKPMPSA-N

DeepSMILES:
OC/C=C/C=C/C=C/C=C/C=CC)CCCC6C)C)))))))))C)))))C

Functional groups:
C/C=C(C)/C=C/C=C(C)/C=C/C(C)=C(C)C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCCC1

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: Retinoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Apocarotenoids, Diterpenoids

NP Classifier Class: Apocarotenoids (β-), Cyclophytane diterpenoids

NP-Likeness score: 2.615

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Chemical structure download