10-Hydroxyscandine
AlkaPlorer ID: AK075606
Synonym: '15-Hydroxyscandine'
IUPAC Name: methyl (1S,10R,12S,19S)-12-ethenyl-4-hydroxy-9-oxo-8,16-diazapentacyclo[10.6.1.01,10.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate
Structure
SMILES: C=C[C@]12C=CCN3CC[C@@]4(C5=CC(O)=CC=C5N=C(O)[C@@]4(C(=O)OC)C1)[C@@H]32
InChI: InChI=1S/C21H22N2O4/c1-3-19-7-4-9-23-10-8-20(16(19)23)14-11-13(24)5-6-15(14)22-17(25)21(20,12-19)18(26)27-2/h3-7,11,16,24H,1,8-10,12H2,2H3,(H,22,25)/t16-,19-,20+,21+/m0/s1
InChIKey: LGEFXJCPQAMQOD-VRXWPRPYSA-N
Reference
Alkaloids from Melodinus hemsleyanus
PubChem CID: 12082289
LOTUS: LTS0110042
SuperNatural Ⅲ: SN0204582-02
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Melodinus fusiformis | Melodinus | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 366.4170000000002
TPSA？: 82.36
MolLogP？: 2.611200000000001
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|