Rifamycin S; 16,17-Dihydro
AlkaPlorer ID: AK312539
Synonym: 16,17-Dihydrorifamycin S
IUPAC Name: (2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,25-hexaen-13-yl) acetate
Structure
SMILES: COC1C=COC2(C)OC3=C(C)C(O)=C4C(=O)C(=CC(=O)C4=C3C2=O)NC(=O)C(C)CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C
InChI: InChI=1S/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-11,13-20,25,29-30,33,41-43H,12H2,1-9H3,(H,38,46)
InChIKey: QIEGGORREWMESJ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Nocardia | Nocardiaceae | Mycobacteriales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 697.7780000000002
TPSA？: 194.98999999999995
MolLogP？: 3.710220000000003
Number of H-Donors: 4
Number of H-Acceptors: 12
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|