Predicentrine; (S)-form, N-De-Me
AlkaPlorer ID: AK310972
Synonym: 2-Hydroxy-1,9,10-trimethoxynoraporphine, Norpredicentrine
IUPAC Name: 1,9,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol
Structure
SMILES: COC1=CC2=C(C=C1OC)C1=C(OC)C(O)=CC3=C1C(C2)NCC3
InChI: InChI=1S/C19H21NO4/c1-22-15-8-11-6-13-17-10(4-5-20-13)7-14(21)19(24-3)18(17)12(11)9-16(15)23-2/h7-9,13,20-21H,4-6H2,1-3H3
InChIKey: WESNQFFZIKGVLU-UHFFFAOYSA-N
Reference
Vasorelaxing Alkaloids and Flavonoids from<i>Cassytha filiformis</i>
PubChem CID: 72383200
CAS: 23768-71-0
LOTUS: LTS0148700
COCONUT: CNP0304474.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Beilschmiedia | Lauraceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Guatteria scandens | Guatteria | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 327.3800000000001
TPSA？: 59.95
MolLogP？: 2.8279000000000005
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|