jadomycin B
AlkaPlorer ID: AK010417
Synonym: '', 'jadomycin B', 'Jadomycin B'
IUPAC Name: (3S,6S)-3-[(2S)-butan-2-yl]-19-[(2S,4R,5R,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-11-hydroxy-9-methyl-5-oxa-2-azapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),7(12),8,10,15(20),16,18-heptaene-4,14,21-trione
Structure
SMILES: CC[C@H](C)[C@H]1C(=O)O[C@H]2C3=CC(C)=CC(O)=C3C3=C(C(=O)C4=C(O[C@H]5C[C@@H](O)[C@@H](O)[C@@H](C)O5)C=CC=C4C3=O)N12
InChI: InChI=1S/C30H31NO9/c1-5-13(3)24-30(37)40-29-16-9-12(2)10-17(32)21(16)23-25(31(24)29)28(36)22-15(27(23)35)7-6-8-19(22)39-20-11-18(33)26(34)14(4)38-20/h6-10,13-14,18,20,24,26,29,32-34H,5,11H2,1-4H3/t13-,14+,18+,20-,24-,26-,29-/m0/s1
InChIKey: BSBSCJRAEMDCHC-ODRQHSIWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces venezuelae | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 549.5760000000002
TPSA？: 142.83
MolLogP？: 3.012120000000001
Number of H-Donors: 3
Number of H-Acceptors: 10
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|