Pyrroindomycin A; 5'-Chloro

AlkaPlorer ID: AK311947

Synonym: Pyrroindomycin B

IUPAC Name: None

Structure

SMILES: CCC1CC2(C)C=C(C(=O)O)C(C)CC23NC(=O)C(=C3O)C(=O)C2(C)C(C=CC3C(OC4CCC(OC5OC(C)C(OC6CC(OC(=O)C7=CC8=C(N7)NC7=CC=C(Cl)C=C78)C(N)C(C)O6)CC5(C)O)C(C)O4)CCCC32)CC1O

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InChI: InChI=1S/C60H79ClN4O15/c1-9-31-24-57(6)25-37(54(70)71)27(2)23-60(57)51(68)48(53(69)65-60)50(67)59(8)32(19-41(31)66)13-15-34-38(59)11-10-12-43(34)77-46-18-17-42(28(3)74-46)80-56-58(7,73)26-45(29(4)76-56)78-47-22-44(49(62)30(5)75-47)79-55(72)40-21-36-35-20-33(61)14-16-39(35)63-52(36)64-40/h13-16,20-21,25,27-32,34,38,41-47,49,56,63-64,66,68,73H,9-12,17-19,22-24,26,62H2,1-8H3,(H,65,69)(H,70,71)

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InChIKey: QQRBMJQYHHLWDG-UHFFFAOYSA-N

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Reference

CAS: 160472-95-7

Properties Information

Molecule Weight: 1131.758

TPSA: 283.44

MolLogP: 7.953100000000008

Number of H-Donors: 8

Number of H-Acceptors: 15

RingCount: 11

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information