(Z)-10-demethoxy-12-hydroxygeissovelline
AlkaPlorer ID: AK136679
Synonym: '(E)-10-demethoxy-12-hydroxygeissovelline'
IUPAC Name: (1R,9S,11S,18Z)-8-acetyl-18-ethylidene-6-hydroxy-5-methoxy-14-methyl-8,14-diazatetracyclo[9.5.2.01,9.02,7]octadeca-2(7),3,5-trien-17-one
Structure
SMILES: C/C=C1\C(=O)[C@@]23CCN(C)CC[C@H]1C[C@@H]2N(C(C)=O)C1=C3C=CC(OC)=C1O
InChI: InChI=1S/C22H28N2O4/c1-5-15-14-8-10-23(3)11-9-22(21(15)27)16-6-7-17(28-4)20(26)19(16)24(13(2)25)18(22)12-14/h5-7,14,18,26H,8-12H2,1-4H3/b15-5-/t14-,18-,22+/m0/s1
InChIKey: HXWIJPIEAIUMKA-KJDJIVLTSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Geissospermum | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 384.4760000000001
TPSA？: 70.08000000000001
MolLogP？: 2.634600000000001
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Leishmania infantum | Leishmania infantum | GI50 | 100.0 | ug.mL-1 | 10.1021/np300067m |