.ALPHA.-AMYRIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H50O
Molecular Weight	426.7174
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]34C)[C@@]1(C)CC[C@H](O)C2(C)C

InChI

InChIKey=FSLPMRQHCOLESF-SFMCKYFRSA-N

InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H50O
Molecular Weight	426.7174
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Lanosterol synthase 4 Target ID: CHEMBL3593 Sources: https://www.ncbi.nlm.nih.gov/pubmed/29027714	Inhibitor 8297
Cyclooxygenase-2 196 Target ID: CHEMBL4321 Sources: https://www.ncbi.nlm.nih.gov/pubmed/17258194	Inhibitor 8297

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:52:54 UTC 2023` Edited by `admin` on `Fri Dec 15 18:52:54 UTC 2023`
Record UNII	30ZAG40J8N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

.ALPHA.-AMYRIN

Common Name

English

VIMINALOL

Common Name

English

3.BETA.-HYDROXYURS-12-ENE

Common Name

English

ALPHA-AMYRIN

Common Name

English

AMYRIN, ALPHA-

Common Name

English

(3.BETA.)-URS-12-EN-3-OL

Common Name

English

NSC-114787

Code

English

.ALPHA.-AMYRIN [MI]

Common Name

English

.ALPHA.-AMYRENOL

Common Name

English

Code System Code Type Description

MESH

C036380