None
AlkaPlorer ID: AK324724
Synonym: None
IUPAC Name: 2-[(4-acetyl-1,3,8-trihydroxy-6-methoxy-9,10-dioxoanthracen-2-yl)methylamino]ethanesulfonic acid
Structure
SMILES: COC1=CC2=C(C(=O)C3=C(O)C(CNCCS(=O)(=O)O)=C(O)C(C(C)=O)=C3C2=O)C(O)=C1
InChI: InChI=1S/C20H19NO10S/c1-8(22)13-15-16(19(26)11(18(13)25)7-21-3-4-32(28,29)30)20(27)14-10(17(15)24)5-9(31-2)6-12(14)23/h5-6,21,23,25-26H,3-4,7H2,1-2H3,(H,28,29,30)
InChIKey: FZYLIGNFDACBOB-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Comatula rotalaria | Comatula | Comatulidae | Comatulida | Crinoidea | Echinodermata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 465.43600000000026
TPSA？: 187.53
MolLogP？: 0.7674000000000005
Number of H-Donors: 5
Number of H-Acceptors: 10
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | EC50 | 100000.0 | nM | 10.1021/acs.jnatprod.0c00267 |