Humantenine
AlkaPlorer ID: AK017191
Synonym: None
IUPAC Name: (1R,2S,4S,7Z,8R,9S)-7-ethylidene-1'-methoxy-5-methylspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one
Structure
SMILES: C/C=C1\CN(C)[C@H]2C[C@@]3(C(=O)N(OC)C4=CC=CC=C43)[C@H]3C[C@@H]1[C@@H]2CO3
InChI: InChI=1S/C21H26N2O3/c1-4-13-11-22(2)18-10-21(19-9-14(13)15(18)12-26-19)16-7-5-6-8-17(16)23(25-3)20(21)24/h4-8,14-15,18-19H,9-12H2,1-3H3/b13-4+/t14-,15-,18-,19+,21-/m0/s1
InChIKey: SJKRPUOXUNOPOP-YDAOCWKESA-N
Reference
New oxindole and indole alkaloids from Gelsemium rankinii
PubChem CID: 44593672
LOTUS: LTS0073213
SuperNatural Ⅲ: SN0347147-09
NPASS: NPC29285
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gelsemium elegans | Gelsemium | Gelsemiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 354.4500000000001
TPSA？: 42.010000000000005
MolLogP？: 2.5177000000000005
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A-431 | EC50 | 100000.0 | nM | 10.1021/np060016o |
| Homo sapiens | KB | ED50 | nan | None | 10.1021/np50050a012 |
| Mus musculus | Mus musculus | Activity | nan | None | 10.1021/acs.jnatprod.1c00062 |
| Mus musculus | P388 | ED50 | nan | None | 10.1021/np50050a012 |