1,2,10,11,12-Pentahydroxyhomoaporphine; (S)-form, 2,11,12-Tri-Me ether
AlkaPlorer ID: AK309678
Synonym: Merenderine, Bechuanine
IUPAC Name: 3,4,16-trimethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaene-5,17-diol
Structure
SMILES: COC1=CC2=C3C(=C1O)C1=C(OC)C(OC)=C(O)C=C1CCC3N(C)CC2
InChI: InChI=1S/C21H25NO5/c1-22-8-7-12-10-15(25-2)19(24)18-16(12)13(22)6-5-11-9-14(23)20(26-3)21(27-4)17(11)18/h9-10,13,23-24H,5-8H2,1-4H3
InChIKey: MITMOIGRCVEHJP-UHFFFAOYSA-N
Reference
Homoaporphine alkaloids fromMerendera robusta
PubChem CID: 4837166
CAS: 1354-66-1
LOTUS: LTS0073896
COCONUT: CNP0103230.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Merendera | Colchicaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Iphigenia | Donacidae | Cardiida | Bivalvia | Mollusca | Metazoa | Eukaryota |
| Iphigenia indica | Iphigenia | Colchicaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 371.43300000000016
TPSA？: 71.39
MolLogP？: 3.2658000000000014
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|