(+)-Angchibangkine
AlkaPlorer ID: AK066582
Synonym: 'Angchibangkine'
IUPAC Name: (8S,21S)-27-methoxy-7,22-dimethyl-14,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.210,13.14,30.115,19.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13(36),15,17,19(35),25,27,32-dodecaen-16-ol
Structure
SMILES: COC1=CC2=C3C4=C1OC1=C(C=C5C(=C1)CCN(C)[C@H]5CC1=CC=C(C=C1)OC1=CC(=CC=C1O)C[C@@H]3N(C)CC2)O4
InChI: InChI=1S/C35H34N2O5/c1-36-12-10-22-17-30-31-19-25(22)26(36)14-20-4-7-24(8-5-20)40-29-16-21(6-9-28(29)38)15-27-33-23(11-13-37(27)2)18-32(39-3)34(41-30)35(33)42-31/h4-9,16-19,26-27,38H,10-15H2,1-3H3/t26-,27-/m0/s1
InChIKey: TWWDQMZTYKXKKW-SVBPBHIXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pachygone dasycarpa | Pachygone | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 562.6660000000002
TPSA？: 63.63000000000001
MolLogP？: 6.947900000000009
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | KB | IC50 | 12.0 | ug.mL-1 | 10.1021/np960568e |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 0.265 | ug.mL-1 | 10.1021/np960568e |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 0.306 | ug.mL-1 | 10.1021/np960568e |