RUTAMARIN ALCOHOL, (+)-

CC(C)(O)[C@@H]1CC2=CC3=C(OC(=O)C(=C3)C(C)(C)C=C)C=C2O1

InChIKey=JCDLLLXYAICSQV-INIZCTEOSA-N

InChI=1S/C19H22O4/c1-6-18(2,3)13-8-11-7-12-9-16(19(4,5)21)22-14(12)10-15(11)23-17(13)20/h6-8,10,16,21H,1,9H2,2-5H3/t16-/m0/s1

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Targets

Primary Target	Pharmacology	Potency
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal 1 Target ID: CHEMBL5926 Sources: https://www.ncbi.nlm.nih.gov/pubmed/19254846\|https://www.ncbi.nlm.nih.gov/pubmed/14635721	Inhibitor 8297	64.0 µM [IC50]
Apoptosis 155 Target ID: map04210 Sources: https://www.ncbi.nlm.nih.gov/pubmed/29142404	Activator 1430	27.64 µM [IC50]
Hepatitis C virus 22 Target ID: CHEMBL379 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25454460	Inhibitor 8297

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:05:45 GMT 2023` Edited by `admin` on `Sat Dec 16 10:05:45 GMT 2023`
Record UNII	V0632559OD
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

RUTAMARIN ALCOHOL, (+)-

Common Name

English

CHALEPIN, (+)-

Common Name

English

7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE, 6-(1,1-DIMETHYL-2-PROPENYL)-2,3-DIHYDRO-2-(1-HYDROXY-1-METHYLETHYL)-, (+)-

Systematic Name

English

RUTAMARIN ALCOHOL

Common Name

English

7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE, 6-(1,1-DIMETHYL-2-PROPEN-1-YL)-2,3-DIHYDRO-2-(1-HYDROXY-1-METHYLETHYL)-, (+)-

Systematic Name

English

Code System Code Type Description

CAS

13164-04-0