ERYTHRODIOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H50O2
Molecular Weight	442.7168
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC(C)(C)CC[C@]1(CO)CC[C@]3(C)C2=CC[C@]4([H])[C@@]5(C)CC[C@H](O)C(C)(C)[C@]5([H])CC[C@@]34C

InChI

InChIKey=PSZDOEIIIJFCFE-OSQDELBUSA-N

InChI=1S/C30H50O2/c1-25(2)14-16-30(19-31)17-15-28(6)20(21(30)18-25)8-9-23-27(5)12-11-24(32)26(3,4)22(27)10-13-29(23,28)7/h8,21-24,31-32H,9-19H2,1-7H3/t21-,22-,23+,24-,27-,28+,29+,30+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C30H50O2
Molecular Weight	442.7168
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Potency
Protein-tyrosine phosphatase 1B 34 Target ID: CHEMBL335 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25264584	Inhibitor 8297	9.6 µM [IC50]
Aldo-keto reductase family 1 member B10 7 Target ID: CHEMBL5983 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21561086	Inhibitor 8297	30.0 µM [IC50]
Aldose reductase 44 Target ID: CHEMBL1900 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21561086	Inhibitor 8297	84.0 µM [IC50]

PubMed

Title	Date	PubMed
CYP716A subfamily members are multifunctional oxidases in triterpenoid biosynthesis.	2011 Dec	22039103

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:45:40 UTC 2023` Edited by `admin` on `Fri Dec 15 19:45:40 UTC 2023`
Record UNII	3VWF903FSS
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ERYTHRODIOL

Official Name

English

OLEAN-12-ENE-3,28-DIOL, (3.BETA.)-

Systematic Name

English

3.BETA.,28-DIHYDROXYOLEAN-12-ENE

Common Name

English

ERYTHRODIOL, (+)-

Systematic Name

English

(3.BETA.)-OLEAN-12-ENE-3,28-DIOL

Common Name

English

3.BETA.-ERYTHRODIOL

Common Name

English

ERYTHRODIOL [INCI]

Common Name

English

OLEAN-12-ENE-3.BETA.,28-DIOL

Common Name

English

Classification Tree Code System Code

DSLD

4157 (Number of products:6)