479-41-4
AlkaPlorer ID: AK002845
Synonym: 'Coroupitine B', 'Indirubin', 'Couroupitine B', 'Indigo Red', 'Indigopurpurin', 'Indigo red'
IUPAC Name: 2-(2-hydroxy-1H-indol-3-yl)indol-3-one
Structure
SMILES: O=C1C(=C2C(O)=NC3=CC=CC=C23)NC2=CC=CC=C12
InChI: InChI=1S/C16H10N2O2/c19-15-10-6-2-4-8-12(10)17-14(15)13-9-5-1-3-7-11(9)18-16(13)20/h1-8,17H,(H,18,20)
InChIKey: CRDNMYFJWFXOCH-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Senecio glanduloso-pilosus | Senecio | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Indigofera suffruticosa | Indigofera | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Swertia calycina | Swertia | Gentianaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 262.26800000000003
TPSA？: 61.69
MolLogP？: 3.3077000000000014
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | NON-PROTEIN TARGET | Potency | 18.8 | nM | None |
| None | NON-PROTEIN TARGET | Potency | 66.8 | nM | None |
| None | NON-PROTEIN TARGET | Potency | 421.4 | nM | None |
| None | NON-PROTEIN TARGET | Potency | 14950.2 | nM | None |