Phoebine; (S)-form, O1,N-Di-de-Me
AlkaPlorer ID: AK310202
Synonym: 1-Hydroxy-2,3-dimethoxy-9,10-methylenedioxynoraporphine, 3-Methoxynordomesticine
IUPAC Name: 17,18-dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2,4(8),9,16(20),17-hexaen-19-ol
Structure
SMILES: COC1=C(O)C2=C3C(=C1OC)CCNC3CC1=CC3=C(C=C12)OCO3
InChI: InChI=1S/C19H19NO5/c1-22-18-10-3-4-20-12-5-9-6-13-14(25-8-24-13)7-11(9)16(15(10)12)17(21)19(18)23-2/h6-7,12,20-21H,3-5,8H2,1-2H3
InChIKey: WPQOVUJKYMOEFK-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ocotea macrophylla | Ocotea | Lauraceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Nectandra | Lauraceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 341.3630000000001
TPSA？: 69.18
MolLogP？: 2.548
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | RAW264.7 | IC50 | 352000.0 | nM | 10.1016/j.ejmech.2021.113568 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 84000.0 | nM | 10.1016/j.ejmech.2021.113568 |
| None | Unchecked | IC50 | 820000.0 | nM | 10.1016/j.ejmech.2021.113568 |