20S-PROTOPANAXATRIOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H52O4
Molecular Weight	476.7315
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]3([H])[C@@]4(C)CC[C@H](O)C(C)(C)[C@]4([H])[C@@H](O)C[C@@]23C)[C@@](C)(O)CCC=C(C)C

InChI

InChIKey=SHCBCKBYTHZQGZ-CJPZEJHVSA-N

InChI=1S/C30H52O4/c1-18(2)10-9-13-30(8,34)19-11-15-28(6)24(19)20(31)16-22-27(5)14-12-23(33)26(3,4)25(27)21(32)17-29(22,28)7/h10,19-25,31-34H,9,11-17H2,1-8H3/t19-,20+,21-,22+,23-,24-,25-,27+,28+,29+,30-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C30H52O4
Molecular Weight	476.7315
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Potency
Peroxisome proliferator-activated receptor gamma 111 Target ID: CHEMBL2459 Sources: https://www.ncbi.nlm.nih.gov/pubmed/16394521	Agonist 2678
LXR-alpha 10 Target ID: CHEMBL2808 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26109499	Antagonist 2778
Glucocorticoid receptor 172 Target ID: CHEMBL2034 Sources: https://www.ncbi.nlm.nih.gov/pubmed/19226254	Agonist 2678	482.0 nM [EC50]
Estrogen receptor beta 110 Target ID: CHEMBL242 Sources: https://www.ncbi.nlm.nih.gov/pubmed/19226254	Agonist 2678

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:20:48 GMT 2023` Edited by `admin` on `Sat Dec 16 12:20:48 GMT 2023`
Record UNII	ZMK19P3WMP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

20S-PROTOPANAXATRIOL

Common Name

English

DAMMAR-24-ENE-3.BETA.,6.ALPHA.,12.BETA.,20-TETROL, (20S)-

Systematic Name

English

(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-17-((2R)-2-HYDROXY-6-METHYLHEPT-5-EN-2-YL)-4,4,8,10,14-PENTAMETHYL-2,3,5,6,7,9,11,12,13,15,16,17-DODECAHYDRO-1H-CYCLOPENTA(A)PHENANTHRENE-3,6,12-TRIOL

Systematic Name

English

DAMMAR-24-ENE-3,6,12,20-TETROL, (3.BETA.,6.ALPHA.,12.BETA.)-

Systematic Name

English

G-PPT

Common Name

English

PANAXOSIDE A AGLYCONE A.PHI.

Common Name

English

(20S)-PROTOPANAXATRIOL

Common Name

English

(3.BETA.,6.ALPHA.,12.BETA.)-DAMMAR-24-ENE-3,6,12,20-TETROL

Systematic Name

English

20(S)-APPT

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID30955635