1,2,10,11,12-Pentahydroxyhomoaporphine; (S)-form, Penta-Me ether
AlkaPlorer ID: AK309679
Synonym: O-Methylkreysigine
IUPAC Name: 3,4,5,16,17-pentamethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaene
Structure
SMILES: COC1=CC2=C(C(OC)=C1OC)C1=C(OC)C(OC)=CC3=C1C(CC2)N(C)CC3
InChI: InChI=1S/C23H29NO5/c1-24-10-9-14-12-16(25-2)21(27-4)20-18(14)15(24)8-7-13-11-17(26-3)22(28-5)23(29-6)19(13)20/h11-12,15H,7-10H2,1-6H3
InChIKey: VIZHHLWKNPFRJY-UHFFFAOYSA-N
Reference
The Homoaporphine Alkaloids of Androcymbium palaestinum
PubChem CID: 13943915
CAS: 22324-17-0
LOTUS: LTS0253479
COCONUT: CNP0391220.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Androcymbium palaestinum | Androcymbium | Colchicaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Merendera | Colchicaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 399.48700000000025
TPSA？: 49.39000000000001
MolLogP？: 3.871800000000003
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|