Oxandrine; 12'-Me ether
AlkaPlorer ID: AK308840
Synonym: Oxandrinine
IUPAC Name: 21-hydroxy-6,9,20,25-tetramethoxy-15,30-dimethyl-23-oxa-15,30-diazaheptacyclo[22.6.2.13,7.18,12.114,18.027,31.022,33]pentatriaconta-3(35),4,6,8,10,12(34),18,20,22(33),24,26,31-dodecaen-2-one
Structure
SMILES: COC1=C2C=C3C(=C1)CCN(C)C3C(=O)C1=CC=C(OC)C(=C1)C1=CC(=CC=C1OC)CC1C3=C(C=C(OC)C(O)=C3O2)CCN1C
InChI: InChI=1S/C38H40N2O7/c1-39-13-12-23-19-33(46-6)37(42)38-34(23)28(39)16-21-7-9-29(43-3)26(15-21)27-17-24(8-10-30(27)44-4)36(41)35-25-20-32(47-38)31(45-5)18-22(25)11-14-40(35)2/h7-10,15,17-20,28,35,42H,11-14,16H2,1-6H3
InChIKey: NGAWQBLUFDBBEN-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Pseudoxandra | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 636.7450000000001
TPSA？: 89.93
MolLogP？: 6.382900000000007
Number of H-Donors: 1
Number of H-Acceptors: 9
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|