Adirubine
AlkaPlorer ID: AK147493
Synonym: None
IUPAC Name: 3-ethyl-2-(3-hydroxy-1-methoxy-1-oxopropan-2-yl)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-6-carboxylic acid
Structure
SMILES: CCC1CN2C(C(=O)O)CC3=C(NC4=CC=CC=C34)C2CC1C(CO)C(=O)OC
InChI: InChI=1S/C22H28N2O5/c1-3-12-10-24-18(8-14(12)16(11-25)22(28)29-2)20-15(9-19(24)21(26)27)13-6-4-5-7-17(13)23-20/h4-7,12,14,16,18-19,23,25H,3,8-11H2,1-2H3,(H,26,27)
InChIKey: YEEKWMLONOHGDC-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Adina | Hesperiidae | Lepidoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 400.4750000000002
TPSA？: 102.86
MolLogP？: 2.347900000000001
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|