7-Oxohernagine
AlkaPlorer ID: AK010530
Synonym: ''
IUPAC Name: 4-hydroxy-3,15,16-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-8-one
Structure
SMILES: COC1=CC2=CC=NC3=C2C(=C1OC)C1=C(OC)C(O)=CC=C1C3=O
InChI: InChI=1S/C19H15NO5/c1-23-12-8-9-6-7-20-16-13(9)15(19(12)25-3)14-10(17(16)22)4-5-11(21)18(14)24-2/h4-8,21H,1-3H3
InChIKey: LCDNFJJWLKOWBV-UHFFFAOYSA-N
Reference
PubChem CID: 500430
CAS: 1722-74-06-5
LOTUS: LTS0208500
SuperNatural Ⅲ: SN0201518
COCONUT: CNP0242422
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hernandia nymphaeifolia | Hernandia | Hernandiaceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 337.331
TPSA？: 77.88
MolLogP？: 3.1776000000000018
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|