Tetrandrine; N2'-De-Me
AlkaPlorer ID: AK303043
Synonym: Cycleanorine, 2'-N-Demethyltetrandrine
IUPAC Name: 9,20,21,25-tetramethoxy-15-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaene
Structure
SMILES: COC1=CC=C2C=C1OC1=CC=C(C=C1)CC1NCCC3=C1C=C(OC1=C4C(=CC(OC)=C1OC)CCN(C)C4C2)C(OC)=C3
InChI: InChI=1S/C37H40N2O6/c1-39-15-13-25-20-34(42-4)36(43-5)37-35(25)29(39)17-23-8-11-30(40-2)32(18-23)44-26-9-6-22(7-10-26)16-28-27-21-33(45-37)31(41-3)19-24(27)12-14-38-28/h6-11,18-21,28-29,38H,12-17H2,1-5H3
InChIKey: LHIFPLJVJKKRTD-UHFFFAOYSA-N
Reference
Alcaloïdes du Limaciopsis loangensis
PubChem CID: 319564
CAS: 38769-08-3
LOTUS: LTS0233422
NPASS: NPC323537
COCONUT: CNP0179131.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Astragalus membranaceus | Astragalus | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 608.7350000000004
TPSA？: 70.65
MolLogP？: 6.820200000000008
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 0.25 | ug.mL-1 | 10.1016/j.ejmech.2022.114173 |