6-methoxy-19-(methoxycarbonyl)-3,13λ⁵-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1(13),2(10),4,6,8,14,16,18,20-nonaen-13-ylium-3-ide
AlkaPlorer ID: AK334740
Synonym: None
IUPAC Name: methyl 6-methoxy-11,12-dihydroyohimban-19-carboxylate
Structure
SMILES: COC(=O)C1=CC=CC2=CN3CCC4=C5C=CC(OC)=CC5=NC4=C3C=C12
InChI: InChI=1S/C22H18N2O3/c1-26-14-6-7-15-16-8-9-24-12-13-4-3-5-17(22(25)27-2)18(13)11-20(24)21(16)23-19(15)10-14/h3-7,10-12H,8-9H2,1-2H3
InChIKey: AOYRRECTYMVUTP-UHFFFAOYSA-N
Reference
ALSTONIA ALKALOIDS. IV. THE STRUCTURE OF ALSTONILINE<sup>1</sup>
PubChem CID: 416135
LOTUS: LTS0092440
SuperNatural Ⅲ: SN0011449
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia constricta | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 358.3970000000001
TPSA？: 51.13
MolLogP？: 0.4152999999999998
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|