Menisporphine
PubChem CID: 150032
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| Compound Synonyms | Menisporphine, 83287-02-9, CCRIS 3818, BRN 5111080, 5,10,11-trimethoxy-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one, DTXSID20232245, 7H-Dibenzo(de,h)quinolin-7-one, 5,6,9-trimethoxy-, 5,10,11-trimethoxy-16-azatetracyclo(7.7.1.02,7.013,17)heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one, DTXCID20154736, HY-N11032, AKOS040734278, DA-75414, CS-0638263, 5,6,9-trimethoxy-7H-dibenzo[de,h]quinolin-7-one |
|---|---|
| Topological Polar Surface Area | 57.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 484.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,10,11-trimethoxy-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C19H15NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LHRMNRPHVHDOJH-UHFFFAOYSA-N |
| Fcsp3 | 0.1578947368421052 |
| Logs | -5.793 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.966 |
| Compound Name | Menisporphine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 321.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 321.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 321.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.137291733333334 |
| Inchi | InChI=1S/C19H15NO4/c1-22-11-4-5-12-13(9-11)18(21)16-15-10(6-7-20-17(12)15)8-14(23-2)19(16)24-3/h4-9H,1-3H3 |
| Smiles | COC1=CC2=C(C=C1)C3=NC=CC4=CC(=C(C(=C43)C2=O)OC)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Corydalis Decumbens (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Dicranostigma Franchetianum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Menispermum Dauricum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Nandina Domestica (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Phellodendron Amurense (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Sinomenium Acutum (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Stephania Tetrandra (Plant) Rel Props:Source_db:cmaup_ingredients