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Substance Name: Papulacandin B
RN: 61032-80-2
InChIKey: UJLFRJFJTPPIOK-DOERTBJDSA-N

Note

  • From Papularia sphaerosperma; inhibits growth of Candida albicans.

Classification Codes

  • Anti-Infective Agents
  • Antifungal Agents
  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C47-H64-O17

Molecular Weight

  • 901.006
 
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Names and Synonyms

Name of Substance

  • Papulacandin B

Synonyms

  • A-32283-B
  • Papulacandin B

Systematic Names

  • alpha-D-Glucopyranose, 1,16-anhydro-1-C-(2,4-dihydroxy-6-(hydroxymethyl)phenyl)-4-O-(6-O-(8-hydroxy-1-oxo-2,4,6-decatrienyl)-beta-D-galactopyranosyl)-, 3-(7-hydroxy-8,14-dimethyl-2,4,8,10-hexadecatetraenoate)
  • D-Glucopyranose, 1,1(sup 6)-anhydro-1-C-(2,4-dihydroxy-6-(hydroxymethyl)phenyl)-4-O-(6-O-(8-hydroxy-1-oxo-2,4,6-decatrienyl)-beta-D-galactopyranosyl)-, 3-(7-hydroxy-8,14-dimethyl-2,4,8,10-hexadecatetraenoate)

Registry Numbers

CAS Registry Number

  • 61032-80-2

System Generated Number

  • 0061032802

Structure Descriptors

InChI

1S/C47H64O17/c1-5-28(3)17-11-9-12-18-29(4)33(51)20-14-10-16-22-38(54)62-44-43(35(25-48)64-47(45(44)58)39-30(26-60-47)23-32(50)24-34(39)52)63-46-42(57)41(56)40(55)36(61-46)27-59-37(53)21-15-8-7-13-19-31(49)6-2/h7-10,12-16,18-19,21-24,28,31,33,35-36,40-46,48-52,55-58H,5-6,11,17,20,25-27H2,1-4H3/b8-7+,12-9+,14-10+,19-13+,21-15+,22-16+,29-18+/t28?,31?,33?,35-,36-,40+,41+,42-,43-,44+,45-,46+,47+/m1/s1

InChIKey

UJLFRJFJTPPIOK-DOERTBJDSA-N

Smiles

c12[C@@]3([C@@H]([C@@H](OC(\C=C\C=C\C[C@@H](\C(=C\C=C\CC[C@@H](CC)C)C)O)=O)[C@@H]([C@H](O3)CO)O[C@H]3[C@@H]([C@H]([C@@H](O)[C@H](O3)COC(\C=C\C=C\C=C\[C@@H](O)CC)=O)O)O)O)OCc1cc(cc2O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous > 1gm/kg (1000mg/kg)   Journal of Antibiotics. Vol. 30, Pg. 289, 1977.