Oxandrine
AlkaPlorer ID: AK308839
Synonym: None
IUPAC Name: 6,21-dihydroxy-9,20,25-trimethoxy-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(O)C(=C1)C1=CC(=CC=C1OC)CC1C3=C(C=C(OC)C(O)=C3O2)CCN1C
InChI: InChI=1S/C37H38N2O7/c1-38-12-11-22-18-32(45-5)36(42)37-33(22)27(38)15-20-6-9-29(43-3)26(14-20)25-16-23(7-8-28(25)40)35(41)34-24-19-31(46-37)30(44-4)17-21(24)10-13-39(34)2/h6-9,14,16-19,27,34,40,42H,10-13,15H2,1-5H3
InChIKey: XCZPVAXCZZECDL-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Pseudoxandra | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 622.7180000000001
TPSA？: 100.93
MolLogP？: 6.079900000000007
Number of H-Donors: 2
Number of H-Acceptors: 9
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|