Pyrroindomycin B
AlkaPlorer ID: AK042567
Synonym: 'pyrroindomycin b'
IUPAC Name: 15-[4-[5-[5-amino-4-(7-chloro-3,4-dihydropyrrolo[2,3-b]indole-2-carbonyl)oxy-6-methyloxan-2-yl]oxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-5-methyloxan-2-yl]oxy-8-ethyl-9,21-dihydroxy-3,6,20-trimethyl-23,25-dioxo-24-azapentacyclo[20.2.1.01,6.011,20.014,19]pentacosa-4,12,21-triene-4-carboxylic acid
Structure
SMILES: CCC1CC2(C)C=C(C(=O)O)C(C)CC23N=C(O)C(=C3O)C(=O)C2(C)C(C=CC3C(OC4CC(OC5CC(C)(O)C(OC6CC(OC(=O)C7=CC8=C(N7)NC7=CC=C(Cl)C=C78)C(N)C(C)O6)C(C)O5)C(C)CO4)CCCC32)CC1O
InChI: InChI=1S/C60H79ClN4O15/c1-9-31-23-57(6)24-37(55(70)71)27(2)22-60(57)51(68)48(54(69)65-60)50(67)59(8)32(17-41(31)66)13-15-34-38(59)11-10-12-42(34)77-45-20-43(28(3)26-74-45)78-47-25-58(7,73)52(30(5)76-47)80-46-21-44(49(62)29(4)75-46)79-56(72)40-19-36-35-18-33(61)14-16-39(35)63-53(36)64-40/h13-16,18-19,24,27-32,34,38,41-47,49,52,63-64,66,68,73H,9-12,17,20-23,25-26,62H2,1-8H3,(H,65,69)(H,70,71)
InChIKey: HURWOXOTXXVJAF-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces rugosporus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1131.758
TPSA？: 286.93
MolLogP？: 8.650900000000004
Number of H-Donors: 8
Number of H-Acceptors: 15
RingCount: 11
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|