Isochondodendrine
AlkaPlorer ID: AK013211
Synonym: None
IUPAC Name: (11R,26R)-5,20-dimethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(31),3(36),4,6,13,15,18(33),19,21,28(32),29,34-dodecaene-4,19-diol
Structure
SMILES: COC1=C(O)C2=C3C(=C1)CCN(C)[C@@H]3CC1=CC=C(C=C1)OC1=C3C(=CC(OC)=C1O)CCN(C)[C@@H]3CC1=CC=C(C=C1)O2
InChI: InChI=1S/C36H38N2O6/c1-37-15-13-23-19-29(41-3)33(39)35-31(23)27(37)17-21-5-9-26(10-6-21)44-36-32-24(20-30(42-4)34(36)40)14-16-38(2)28(32)18-22-7-11-25(43-35)12-8-22/h5-12,19-20,27-28,39-40H,13-18H2,1-4H3/t27-,28-/m1/s1
InChIKey: XIOGHHPVBVXQIV-VSGBNLITSA-N
Reference
The biosynthesis of the alkaloids of cissampelos pareira linn
PubChem CID: 197726
CAS: 477-62-3
LOTUS: LTS0236785
SuperNatural Ⅲ: SN0431157-02
NPASS: NPC104196
Source
Properties Information
Molecule Weight: 594.7080000000003
TPSA？: 83.86000000000001
MolLogP？: 6.556400000000008
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Entamoeba histolytica | Entamoeba histolytica | IC50 | 10.51 | ug.mL-1 | 10.1007/s00044-011-9767-1 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 892.0 | nM | 10.1016/j.bmc.2009.02.050 |