Hyrtioerectine A
AlkaPlorer ID: AK016010
Synonym: None
IUPAC Name: 2-[6-hydroxy-3-(6-hydroxy-1H-indol-3-yl)-9H-pyrido[3,4-b]indol-4-yl]-2-oxoacetic acid
Structure
SMILES: O=C(O)C(=O)C1=C(C2=CNC3=CC(O)=CC=C23)N=CC2=C1C1=CC(O)=CC=C1N2
InChI: InChI=1S/C21H13N3O5/c25-9-2-4-14-12(5-9)17-16(24-14)8-23-19(18(17)20(27)21(28)29)13-7-22-15-6-10(26)1-3-11(13)15/h1-8,22,24-26H,(H,28,29)
InChIKey: AYFYGTZIXVBNOU-UHFFFAOYSA-N
Reference
PubChem CID: 11589139
CAS: 866402-94-0
LOTUS: LTS0065790
COCONUT: CNP0319476
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hyrtios erectus | Hyrtios | Thorectidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 387.3510000000001
TPSA？: 139.3
MolLogP？: 3.5429000000000013
Number of H-Donors: 5
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HeLa | IC50 | 10.0 | ug.mL-1 | 10.1021/np050142c |