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Substance Name: Quinovic acid
RN: 465-74-7
UNII: 9JP167T0ZN
InChIKey: OJUYFGQEMPENCE-DPKHZRJYSA-N

Note

  • From Mitragyna stipulosa (Rubiaceae).

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H46-O5

Molecular Weight

  • 486.688
 
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Names and Synonyms

Name of Substance

  • Quinovic acid

Synonyms

  • (3-beta)-3-Hydroxyurs-12-ene-27,28-dioic acid
  • (3beta)-3-hydroxyurs-12-ene-27,28-dioic acid
  • 3-beta-Hydroxyurs-12-ene-27,28-dioic acid
  • 4-10-00-02197 (Beilstein Handbook Reference)
  • BRN 3113936
  • Chinova acid
  • Chinovic acid
  • Quinovaic acid
  • Quinovic acid
  • UNII-9JP167T0ZN

Systematic Names

  • Urs-12-ene-27,28-dioic acid, 3-beta-hydroxy-
  • Urs-12-ene-27,28-dioic acid, 3-hydroxy-, (3-beta)- (9CI)

Registry Numbers

CAS Registry Number

  • 465-74-7

FDA UNII

  • 9JP167T0ZN

System Generated Number

  • 0000465747

Structure Descriptors

InChI

InChI=1S/C30H46O5/c1-17-9-14-29(24(32)33)15-16-30(25(34)35)19(23(29)18(17)2)7-8-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,30)6/h7,17-18,20-23,31H,8-16H2,1-6H3,(H,32,33)(H,34,35)/t17-,18+,20+,21-,22+,23+,27+,28-,29+,30-/m1/s1

InChIKey

OJUYFGQEMPENCE-DPKHZRJYSA-N

Smiles

C[C@@H]1CC[C@@]2(CC[C@]3(C(=O)O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LD50 subcutaneous 825mg/kg (825mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

CARDIAC: CHANGE IN RATE

GASTROINTESTINAL: OTHER CHANGES
Bulletin of the Faculty of Pharmacy Vol. 6, Pg. 253, 1967.
mouse LD50 intraperitoneal 177mg/kg (177mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

CARDIAC: CHANGE IN RATE

GASTROINTESTINAL: OTHER CHANGES
Bulletin of the Faculty of Pharmacy Vol. 6, Pg. 253, 1967.