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Substance Name: Holacanthone
RN: 84062-60-2
UNII: 1W45S57JD6
InChIKey: OFHVBIQKCNMHKC-FJSLBGAUSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C22-H28-O9

Molecular Weight

  • 436.454
 
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Names and Synonyms

Results Name

  • Holacanthone

Name of Substance

  • Holacanthone

Synonyms

  • Acetyl-glaucarubulone
  • BRN 5461864
  • Holacanthone
  • NSC 126765
  • UNII-1W45S57JD6

Systematic Names

  • 2H-1,11c-beta-(Epoxymethano)-phenanthro(10,1-bc)pyran-5,10(3H,6a-beta-H)-dione, 1,3a-beta,4,7,7a-alpha,11,11a,11b-octahydro-1-alpha,2-alpha,4-beta,11-beta-tetrahydroxy-3-alpha,18,11a-beta-trimethyl-, 4-acetate
  • Picras-3-ene-2,16-dione, 15-(acetyloxy)-11,20-epoxy-1,11,12-trihydroxy- (9CI)

Registry Numbers

CAS Registry Number

  • 84062-60-2

FDA UNII

  • 1W45S57JD6

System Generated Number

  • 0084062602

Structure Descriptors

InChI

1S/C22H28O9/c1-8-5-12(24)17(26)20(4)11(8)6-13-21-7-29-22(28,19(20)21)16(25)9(2)14(21)15(18(27)31-13)30-10(3)23/h5,9,11,13-17,19,25-26,28H,6-7H2,1-4H3/t9-,11+,13-,14-,15-,16-,17-,19-,20-,21+,22+/m1/s1

InChIKey

OFHVBIQKCNMHKC-FJSLBGAUSA-N

Smiles

C1(=O)C=C(C)[C@H]2[C@@]([C@@H]1O)([C@@H]1[C@]34[C@@H](OC([C@@H](OC(C)=O)[C@H]4[C@H]([C@H]([C@@]1(O)OC3)O)C)=O)C2)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 25mg/kg (25mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 8(2), Pg. 171, 1982.