Hypecorinine
PubChem CID: 13997263
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| Compound Synonyms | Hypecorinine, 41787-57-9, CHEMBL4173190, 6-methylspiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5,7'-9H-[1,3]dioxolo[4,5-h]isochromene]-6'-one, BDBM50286644, AKOS040734918, FS-7674 |
|---|---|
| Topological Polar Surface Area | 66.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 630.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-methylspiro[7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-5,7'-9H-[1,3]dioxolo[4,5-h]isochromene]-6'-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C20H17NO6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DFLLMUXSZJESOF-UHFFFAOYSA-N |
| Fcsp3 | 0.35 |
| Logs | -3.413 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.646 |
| Compound Name | Hypecorinine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 367.106 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 367.106 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 367.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.00260228888889 |
| Inchi | InChI=1S/C20H17NO6/c1-21-5-4-11-6-16-17(25-9-24-16)7-14(11)20(21)19(22)12-2-3-15-18(26-10-23-15)13(12)8-27-20/h2-3,6-7H,4-5,8-10H2,1H3 |
| Smiles | CN1CCC2=CC3=C(C=C2C14C(=O)C5=C(CO4)C6=C(C=C5)OCO6)OCO3 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Corydalis Mucronifera (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Hypecoum Erectum (Plant) Rel Props:Source_db:cmaup_ingredients