methyl 3-ethyl-2-(3-methoxy-3-oxoprop-1-en-2-yl)-1H,2H,3H,4H,6H,7H,12H,12bH-indolo[2,3-a]quinolizine-6-carboxylate
AlkaPlorer ID: AK331121
Synonym: None
IUPAC Name: methyl (2S,3S,6S,12bS)-3-ethyl-2-(3-methoxy-3-oxoprop-1-en-2-yl)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-6-carboxylate
Structure
SMILES: C=C(C(=O)OC)[C@H]1C[C@H]2C3=C(C[C@@H](C(=O)OC)N2C[C@H]1CC)C1=CC=CC=C1N3
InChI: InChI=1S/C23H28N2O4/c1-5-14-12-25-19(10-16(14)13(2)22(26)28-3)21-17(11-20(25)23(27)29-4)15-8-6-7-9-18(15)24-21/h6-9,14,16,19-20,24H,2,5,10-12H2,1,3-4H3/t14-,16-,19+,20+/m1/s1
InChIKey: AGEICTTZLXNHHA-NLCWTHGUSA-N
Reference
Adina alkaloids: Isolation and structure of anhydroadirubine
PubChem CID: 163185029
LOTUS: LTS0009616
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Adina eurhyncha | Adina | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 396.48700000000014
TPSA？: 71.63000000000001
MolLogP？: 3.384000000000002
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|