Phoebine; (S)-form, O1,N-Di-de-Me, N-(methoxycarbonyl)
AlkaPlorer ID: AK310206
Synonym: 3-Methoxy-N-methoxycarbonylnordomesticine
IUPAC Name: methyl 19-hydroxy-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-hexaene-13-carboxylate
Structure
SMILES: COC(=O)N1CCC2=C(OC)C(OC)=C(O)C3=C2C1CC1=CC2=C(C=C13)OCO2
InChI: InChI=1S/C21H21NO7/c1-25-19-11-4-5-22(21(24)27-3)13-6-10-7-14-15(29-9-28-14)8-12(10)17(16(11)13)18(23)20(19)26-2/h7-8,13,23H,4-6,9H2,1-3H3
InChIKey: CFLRXCPUZJBXGP-UHFFFAOYSA-N
Reference
CAS: 1245029-21-3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ocotea macrophylla | Ocotea | Lauraceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 399.3990000000002
TPSA？: 86.69000000000001
MolLogP？: 3.026800000000001
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|