Discoguattine; (R)-form, O9-De-Me
AlkaPlorer ID: AK215745
Synonym: Isocalycinine, 9-Hydroxy-11-methoxy-1,2-methylenedioxynoraporphine
IUPAC Name: 18-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-16-ol
Structure
SMILES: COC1=CC(O)=CC2=C1C1=C3OCOC3=CC3=C1C(C2)NCC3
InChI: InChI=1S/C18H17NO4/c1-21-13-7-11(20)4-10-5-12-15-9(2-3-19-12)6-14-18(23-8-22-14)17(15)16(10)13/h4,6-7,12,19-20H,2-3,5,8H2,1H3
InChIKey: NFBBMGBCDXVPKR-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Guatteria discolor | Guatteria | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 311.33700000000005
TPSA？: 59.95
MolLogP？: 2.5394000000000005
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|