Candimine
AlkaPlorer ID: AK003128
Synonym: None
IUPAC Name: (2S,3S,9S,10S)-9-hydroxy-14-methoxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),7,13,15(19)-tetraen-12-one
Structure
SMILES: COC1=C2C(=O)O[C@H]3[C@@H](C2=CC2=C1OCO2)[C@H]1C(=C[C@@H]3O)CCN1C
InChI: InChI=1S/C18H19NO6/c1-19-4-3-8-5-10(20)15-12(14(8)19)9-6-11-16(24-7-23-11)17(22-2)13(9)18(21)25-15/h5-6,10,12,14-15,20H,3-4,7H2,1-2H3/t10-,12-,14+,15+/m0/s1
InChIKey: OLGJGNBIBXKMJN-OBCWZRDOSA-N
Reference
Alkaloids from <i>Hippeastrum morelianum</i> Lem. (Amaryllidaceae)
PubChem CID: 441588
CAS: 24585-19-1
LOTUS: LTS0131998
SuperNatural Ⅲ: SN0268583-01
NPASS: NPC80472
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hippeastrum morelianum | Hippeastrum | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 345.35100000000006
TPSA？: 77.46000000000001
MolLogP？: 1.0515
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Trichomonas vaginalis | Trichomonas vaginalis | Activity | 19.49 | % | 10.1021/np100449g |
| Trichomonas vaginalis | Trichomonas vaginalis | Activity | 19.89 | % | 10.1021/np100449g |
| Trichomonas vaginalis | Trichomonas vaginalis | Activity | 22.66 | % | 10.1021/np100449g |
| Trichomonas vaginalis | Trichomonas vaginalis | Activity | 34.39 | % | 10.1021/np100449g |
| Trichomonas vaginalis | Trichomonas vaginalis | Activity | 44.2 | % | 10.1021/np100449g |
| Trichomonas vaginalis | Trichomonas vaginalis | Activity | 58.97 | % | 10.1021/np100449g |
| Trichomonas vaginalis | Trichomonas vaginalis | Activity | 60.0 | % | 10.1016/j.bmcl.2019.126642 |
| Trichomonas vaginalis | Trichomonas vaginalis | Activity | nan | None | 10.1021/np100449g |
| Trichomonas vaginalis | Trichomonas vaginalis | GI | nan | None | 10.1021/np100449g |