Decatromicin B
AlkaPlorer ID: AK032445
Synonym: None
IUPAC Name: (1S,3S,6S,7E,10E,13R,16S,17S,18S,21R,22R)-17-[(2R,4R,5S,6R)-5-[(3,5-dichloro-1H-pyrrole-2-carbonyl)amino]-4-hydroxy-6-methyloxan-2-yl]oxy-3,22-diethyl-23-hydroxy-6,8,18-trimethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-4,7,10,14,23-pentaene-4-carboxylic acid
Structure
SMILES: CC[C@H]1C[C@]23OC(=O)C(=C(O)[C@@]4(CC)[C@@H]5CC[C@H](C)[C@H](O[C@H]6C[C@@H](O)[C@H](NC(=O)C7=C(Cl)C=C(Cl)N7)[C@@H](C)O6)[C@H]5C=C[C@H]4C/C=C/C/C(C)=C/[C@@]2(C)C=C1C(=O)O)C3=O
InChI: InChI=1S/C45H56Cl2N2O10/c1-7-25-20-45-39(52)34(42(56)59-45)38(51)44(8-2)26(12-10-9-11-22(3)19-43(45,6)21-28(25)41(54)55)14-15-27-29(44)16-13-23(4)37(27)58-33-18-31(50)35(24(5)57-33)49-40(53)36-30(46)17-32(47)48-36/h9-10,14-15,17,19,21,23-27,29,31,33,35,37,48,50-51H,7-8,11-13,16,18,20H2,1-6H3,(H,49,53)(H,54,55)/b10-9+,22-19+,38-34?/t23-,24+,25-,26+,27-,29+,31+,33-,35+,37-,43-,44+,45+/m0/s1
InChIKey: UYAXASMGHNZATD-IQSMHXHVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinomadura sp. | Actinomadura | Thermomonosporaceae | Streptosporangiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 855.853
TPSA？: 184.48
MolLogP？: 7.965900000000009
Number of H-Donors: 5
Number of H-Acceptors: 9
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|