Isocorydione; O1-De-Me
AlkaPlorer ID: AK050261
Synonym: 1-Demethylsonodione
IUPAC Name: 16-hydroxy-4,15-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,4,7,9(17),13,15-hexaene-3,6-dione
Structure
SMILES: COC1=CC(=O)C2=C(C1=O)C1=C(O)C(OC)=CC3=C1C(=C2)N(C)CC3
InChI: InChI=1S/C19H17NO5/c1-20-5-4-9-6-13(24-2)19(23)17-15(9)11(20)7-10-12(21)8-14(25-3)18(22)16(10)17/h6-8,23H,4-5H2,1-3H3
InChIKey: MEYYOKCMFDAQQU-UHFFFAOYSA-N
Reference
Constituents from the Stems of<i>Aristolochia</i><i>m</i><i>anshuriensis</i>
PubChem CID: 162843626
CAS: 174581-72-7
LOTUS: LTS0259576
SuperNatural Ⅲ: SN0223783
COCONUT: CNP0104325
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hernandia sonora | Hernandia | Hernandiaceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 339.3470000000001
TPSA？: 76.07000000000001
MolLogP？: 2.4556000000000004
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|