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Substance Name: 1-Hydroxyserirubicin
RN: 98183-93-8
InChIKey: ZOAWPNFRCKMMNQ-UHFFFAOYSA-N

Note

  • Isolated from Streptomyces cyaneus.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C60-H80-N2-O22

Molecular Weight

  • 1181.28
 
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Names and Synonyms

Name of Substance

  • 1-Hydroxyserirubicin

Synonym

  • 1-Hydroxyserirubicin

Systematic Name

  • Serirubicin, 1-hydroxy-

Registry Numbers

CAS Registry Number

  • 98183-93-8

System Generated Number

  • 0098183938

Structure Descriptors

InChI

1S/C60H80N2O22/c1-12-60(70)22-41(79-42-16-31(61(8)9)53(25(4)71-42)80-44-20-37-55(27(6)73-44)83-58-39(77-37)18-35(65)23(2)75-58)29-15-30-46(52(69)49-34(64)14-13-33(63)48(49)50(30)67)51(68)47(29)57(60)82-43-17-32(62(10)11)54(26(5)72-43)81-45-21-38-56(28(7)74-45)84-59-40(78-38)19-36(66)24(3)76-59/h13-15,23-28,31-32,37-45,53-59,63-64,68,70H,12,16-22H2,1-11H3

InChIKey

ZOAWPNFRCKMMNQ-UHFFFAOYSA-N

Smiles

O([C@@H]1C[C@@H](N(C)C)[C@@H](O[C@@H]2C[C@@H]3O[C@@H]4[C@@H](O[C@@H]3[C@@H](C)O2)O[C@@H](C(C4)=O)C)[C@@H](O1)C)[C@@H]1c2cc3c(c(c2[C@@H]([C@@](C1)(O)CC)O[C@@H]1C[C@@H]([C@@H]([C@@H](O1)C)O[C@@H]1C[C@@H]2[C@@H]([C@@H](O1)C)O[C@@H]1[C@@H](O2)CC([C@@H](O1)C)=O)N(C)C)O)C(=O)c1c(ccc(O)c1C3=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 5mg/kg (5mg/kg)   Journal of Antibiotics. Vol. 38, Pg. 795, 1985.