Kibdelomycin; 44-Demethyl
AlkaPlorer ID: AK303583
Synonym: Kibdelomycin A
IUPAC Name: [5-carbamoyloxy-2-[3-[[5-[4-[1-[(3,4-dichloro-1H-pyrrole-2-carbonyl)amino]ethyl]-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2-methyl-8-methylidene-2,4a,5,6,7,8a-hexahydro-1H-naphthalen-1-yl]-hydroxymethylidene]-2,4-dioxo-5-propan-2-ylpyrrolidin-1-yl]-3-methoxy-6-methyloxan-4-yl] acetate
Structure
SMILES: C=C1CCC(OC2CC(O)(C(C)NC(=O)C3=C(Cl)C(Cl)=CN3)C(O)C(C)O2)C2C=CC(C)C(C(O)=C3C(=O)C(C(C)C)N(C4OC(C)C(OC(N)=O)C(OC(C)=O)C4OC)C3=O)C12
InChI: InChI=1S/C43H58Cl2N4O14/c1-16(2)32-34(52)29(40(55)49(32)41-37(58-9)36(61-22(8)50)35(19(5)60-41)63-42(46)56)33(51)28-18(4)10-12-23-25(13-11-17(3)27(23)28)62-26-14-43(57,38(53)20(6)59-26)21(7)48-39(54)31-30(45)24(44)15-47-31/h10,12,15-16,18-21,23,25-28,32,35-38,41,47,51,53,57H,3,11,13-14H2,1-2,4-9H3,(H2,46,56)(H,48,54)
InChIKey: ZPMXCTSMZFCELU-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kibdelosporangium sp. | Kibdelosporangium | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 925.857
TPSA？: 258.5
MolLogP？: 3.859800000000004
Number of H-Donors: 6
Number of H-Acceptors: 14
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|