Pyrroindomycin A

AlkaPlorer ID: AK311946

Synonym: None

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=CC=C78)C(N)C(C)O6)CC5(C)O)C(C)O4)CCCC32)CC1O

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InChI: InChI=1S/C60H80N4O15/c1-9-32-25-57(6)26-37(54(69)70)28(2)24-60(57)51(67)48(53(68)64-60)50(66)59(8)33(21-41(32)65)17-18-35-38(59)14-12-16-43(35)76-46-20-19-42(29(3)73-46)79-56-58(7,72)27-45(30(4)75-56)77-47-23-44(49(61)31(5)74-47)78-55(71)40-22-36-34-13-10-11-15-39(34)62-52(36)63-40/h10-11,13,15,17-18,22,26,28-33,35,38,41-47,49,56,62-63,65,67,72H,9,12,14,16,19-21,23-25,27,61H2,1-8H3,(H,64,68)(H,69,70)

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InChIKey: CKJHJOOZNQVDOI-UHFFFAOYSA-N

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Reference

CAS: 160472-94-6

Properties Information

Molecule Weight: 1097.313

TPSA: 283.44

MolLogP: 7.299700000000009

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