Aurantimycin B
AlkaPlorer ID: AK009033
Synonym: '', 'Aurantimycin B'
IUPAC Name: (2S)-N-[(6S,16S,17S,20R)-7,21-dihydroxy-6-(methoxymethyl)-20-methyl-2,5,8,15,19,22-hexaoxo-17-propan-2-yl-18-oxa-1,4,7,13,14,21,27-heptazatricyclo[21.4.0.09,14]heptacos-26-en-16-yl]-2-hydroxy-2-[(2S,5S,6S)-2-hydroxy-6-methyl-5-(2-methylpropyl)oxan-2-yl]propanamide
Structure
SMILES: COC[C@H]1C(O)=NCC(=O)N2N=CCCC2C(=O)N(O)[C@H](C)C(=O)O[C@@H](C(C)C)[C@H](N=C(O)[C@@](C)(O)[C@]2(O)CC[C@@H](CC(C)C)[C@H](C)O2)C(=O)N2NCCCC2C(=O)N1O
InChI: InChI=1S/C38H62N8O14/c1-20(2)17-24-13-14-38(55,60-23(24)6)37(7,54)36(53)42-29-30(21(3)4)59-35(52)22(5)45(56)32(49)25-11-9-15-40-43(25)28(47)18-39-31(48)27(19-58-8)46(57)33(50)26-12-10-16-41-44(26)34(29)51/h15,20-27,29-30,41,54-57H,9-14,16-19H2,1-8H3,(H,39,48)(H,42,53)/t22-,23+,24+,25?,26?,27+,29+,30+,37-,38+/m1/s1
InChIKey: HLRDKYXEOKTOGL-QASQUSHVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces aurantiacus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 854.9559999999998
TPSA？: 296.49
MolLogP？: 0.4617000000000109
Number of H-Donors: 7
Number of H-Acceptors: 16
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|