PACHYMIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H52O5
Molecular Weight	528.763
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]1([C@@H](CCC(=C)C(C)C)C(O)=O)[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@]4([H])CC3

InChI

InChIKey=VDYCLYGKCGVBHN-DRCQUEPLSA-N

InChI=1S/C33H52O5/c1-19(2)20(3)10-11-22(29(36)37)28-25(35)18-33(9)24-12-13-26-30(5,6)27(38-21(4)34)15-16-31(26,7)23(24)14-17-32(28,33)8/h19,22,25-28,35H,3,10-18H2,1-2,4-9H3,(H,36,37)/t22-,25-,26+,27+,28+,31-,32-,33+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C33H52O5
Molecular Weight	528.763
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Potency
Oxidative Stress 160 Target ID: WP408 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23522537	Inhibitor 8297
Apoptosis 155 Target ID: map04210 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26244039	Activator 1430
Phospholipase A2, acidic 1 Target ID: CHEMBL5584 Sources: https://www.ncbi.nlm.nih.gov/pubmed/8984162	Inhibitor 8297	2.9 mM [IC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:55:46 UTC 2023` Edited by `admin` on `Sat Dec 16 08:55:46 UTC 2023`
Record UNII	X2FCK16QAH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PACHYMIC ACID

Common Name

English

LANOST-8-EN-21-OIC ACID, 3-(ACETYLOXY)-16-HYDROXY-24-METHYLENE-, (3.BETA.,16.ALPHA.)-

Systematic Name

English

EBURICA-8,24(28)-DIEN-21-OIC ACID, 3.BETA.,16.ALPHA.-DIHYDROXY-, 3-ACETATE

Common Name

English

NSC-244427

Code

English

3-O-ACETYLTUMULOSIC ACID

Common Name

English

LANOST-8-EN-21-OIC ACID, 3.BETA.,16.ALPHA.-DIHYDROXY-24-METHYLENE-, 3-ACETATE

Common Name

English

Code System Code Type Description

CAS

29070-92-6