N‐(4‐O‐carbamoyl‐β‐D‐glucopyranosyl)‐N‐demethylansamitocin P
AlkaPlorer ID: AK077217
Synonym: None
IUPAC Name: [(1S,2R,3S,5S,6S,16Z,18Z,20R,21S)-9-[(2R,3R,4R,5S,6R)-5-carbamoyloxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,16-trimethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] acetate
Structure
SMILES: COC1=C(Cl)C2=CC(=C1)C/C(C)=C\C=C/[C@@H](OC)[C@@]1(O)C[C@H](OC(O)=N1)[C@@H](C)[C@@H]1O[C@@]1(C)[C@@H](OC(C)=O)CC(=O)N2[C@@H]1O[C@H](CO)[C@@H](OC(=N)O)[C@H](O)[C@H]1O
InChI: InChI=1S/C36H48ClN3O15/c1-16-8-7-9-24(50-6)36(48)14-22(53-34(47)39-36)17(2)31-35(4,55-31)25(51-18(3)42)13-26(43)40(20-11-19(10-16)12-21(49-5)27(20)37)32-29(45)28(44)30(54-33(38)46)23(15-41)52-32/h7-9,11-12,17,22-25,28-32,41,44-45,48H,10,13-15H2,1-6H3,(H2,38,46)(H,39,47)/b9-7-,16-8-/t17-,22+,23-,24-,25+,28-,29-,30-,31+,32-,35+,36+/m1/s1
InChIKey: BESFOVJZYFNUQE-KVTCPVOUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinosynnema pretiosum | Actinosynnema | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 798.2390000000004
TPSA？: 262.87999999999994
MolLogP？: 1.5790700000000015
Number of H-Donors: 7
Number of H-Acceptors: 15
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|