Isotylocrebrine; (S)-form, 14α-Hydroxy, O3,O6-di-de-Me
AlkaPlorer ID: AK137392
Synonym: 3,6-Dide-O-methyl-14α-hydroxyisotylocrebrine
IUPAC Name: 4,7-dimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine-3,6,14-triol
Structure
SMILES: COC1=CC2=C3CN4CCCC4C(O)C3=C3C=CC(O)=C(OC)C3=C2C=C1O
InChI: InChI=1S/C22H23NO5/c1-27-18-9-12-13(8-17(18)25)20-11(5-6-16(24)22(20)28-2)19-14(12)10-23-7-3-4-15(23)21(19)26/h5-6,8-9,15,21,24-26H,3-4,7,10H2,1-2H3
InChIKey: CMYVLWHAFMMTBU-UHFFFAOYSA-N
Reference
Further Investigation of Phenanthroindolizidine Alkaloids from Tylophora tanakae.
PubChem CID: 85234062
LOTUS: LTS0021440
COCONUT: CNP0223291
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Tylophora | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Tylophora | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 381.42800000000017
TPSA？: 82.39000000000001
MolLogP？: 3.4328000000000025
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|