Vincadifformine
AlkaPlorer ID: AK003729
Synonym: None
IUPAC Name: methyl (1R,12S,19S)-12-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9-tetraene-10-carboxylate
Structure
SMILES: CC[C@]12CCCN3CC[C@]4(C(=C(C(=O)OC)C1)NC1=CC=CC=C14)[C@@H]32
InChI: InChI=1S/C21H26N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-5,7-8,19,22H,3,6,9-13H2,1-2H3/t19-,20-,21-/m0/s1
InChIKey: GIGFIWJRTMBSRP-ACRUOGEOSA-N
Reference
High performance liquid chromatographic determination of alkaloids from <i>Vinca minor</i> L.
PubChem CID: 169447733
CAS: 3247-10-7
LOTUS: LTS0102105
SuperNatural Ⅲ: SN0106455-06
NPASS: NPC61013
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hunteria zeylanica | Hunteria | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 338.451
TPSA？: 41.57
MolLogP？: 3.4452000000000016
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | Activity | nan | None | 10.1021/acs.jnatprod.5b01035 |
| Homo sapiens | HeLa | Activity | nan | None | 10.1021/acs.jnatprod.5b01035 |
| Homo sapiens | Jurkat | IC50 | 21.8 | ug.mL-1 | 10.1021/np0702234 |
| Homo sapiens | KB | IC50 | 10.2 | ug.mL-1 | 10.1021/np0702234 |
| Homo sapiens | SGC-7901 | Activity | nan | None | 10.1021/acs.jnatprod.5b01035 |
| None | NON-PROTEIN TARGET | IC50 | 6.3 | ug.mL-1 | 10.1021/np0702234 |
| None | NON-PROTEIN TARGET | IC50 | 13300.0 | nM | 10.1021/np0702234 |