Erythrazole A
AlkaPlorer ID: AK297846
Synonym: None
IUPAC Name: (6E,10E,14E)-16-[2-(carboxymethylcarbamoyl)-6-hydroxy-5-methoxy-1,3-benzothiazol-7-yl]-2,6,10,14-tetramethylhexadeca-6,10,14-trienoic acid
Structure
SMILES: COC1=CC2=C(SC(C(=O)NCC(=O)O)=N2)C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCCC(C)C(=O)O)=C1O
InChI: InChI=1S/C31H42N2O7S/c1-19(9-6-10-20(2)13-8-14-22(4)31(38)39)11-7-12-21(3)15-16-23-27(36)25(40-5)17-24-28(23)41-30(33-24)29(37)32-18-26(34)35/h10-11,15,17,22,36H,6-9,12-14,16,18H2,1-5H3,(H,32,37)(H,34,35)(H,38,39)/b19-11+,20-10+,21-15+
InChIKey: BWBXJAHQKZPMSE-GYDVHWSXSA-N
Reference
Erythrazoles A–B, Cytotoxic Benzothiazoles from a Marine-Derived<i>Erythrobacter</i>sp.
PubChem CID: 56934392
CAS: 1350451-73-8
{NPAtlas: NPA031339
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Erythrobacter sp. | Erythrobacter | Erythrobacteraceae | Sphingomonadales | Alphaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 586.7510000000005
TPSA？: 146.05
MolLogP？: 6.657700000000007
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|