A-83094A
AlkaPlorer ID: AK000173
Synonym: 'A-83094A', 'Iso-16-deethylindanomycin', '16-Deethylindanomycin', 'A83094A'
IUPAC Name: (2R)-2-[(2S,5R,6R)-6-[(3E,5E)-6-[(3aS,4R,5R,7aR)-4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]hexa-3,5-dien-3-yl]-5-methyloxan-2-yl]propanoic acid
Structure
SMILES: CC/C(=C\C=C\[C@H]1C=C[C@H]2CCC[C@@H]2[C@H]1C(=O)C1=CC=CN1)[C@@H]1O[C@H]([C@@H](C)C(=O)O)CC[C@H]1C
InChI: InChI=1S/C29H39NO4/c1-4-20(28-18(2)13-16-25(34-28)19(3)29(32)33)8-5-10-22-15-14-21-9-6-11-23(21)26(22)27(31)24-12-7-17-30-24/h5,7-8,10,12,14-15,17-19,21-23,25-26,28,30H,4,6,9,11,13,16H2,1-3H3,(H,32,33)/b10-5+,20-8+/t18-,19-,21-,22+,23+,25+,26+,28-/m1/s1
InChIKey: HSZFOQSMGNAIJM-BTBOFAPCSA-N
Reference
Indanomycin-related antibiotics from marine<i>Streptomyces antibioticus</i>PTZ0016
PubChem CID: 139584291
LOTUS: LTS0098975
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces antibioticus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 465.6340000000001
TPSA？: 79.39
MolLogP？: 6.212900000000007
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|