Lucidamine A
PubChem CID: 23656474
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | LUCIDAMINE A, 1-[(6S)-2,3-dihydroxy-7,8-dimethoxy-5-methyl-6H-benzo[c]phenanthridin-6-yl]propan-2-one, 1-((6S)-2,3-dihydroxy-7,8-dimethoxy-5-methyl-6H-benzo(c)phenanthridin-6-yl)propan-2-one, CHEMBL399861, (S)1''-(9,10-dihydro-2',3'-dihydroxy-7,8-dimethoxy-10-methyl-1,2-benzophenanthridin-9-yl)propan-2''-one, 956012-27-4 |
|---|---|
| Topological Polar Surface Area | 79.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 600.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 1-[(6S)-2,3-dihydroxy-7,8-dimethoxy-5-methyl-6H-benzo[c]phenanthridin-6-yl]propan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C23H23NO5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | OZFFCUIRRDOAHH-KRWDZBQOSA-N |
| Fcsp3 | 0.2608695652173913 |
| Logs | -5.243 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.116 |
| Compound Name | Lucidamine A |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 393.158 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 393.158 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 393.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.578197662068965 |
| Inchi | InChI=1S/C23H23NO5/c1-12(25)9-17-21-14(7-8-20(28-3)23(21)29-4)15-6-5-13-10-18(26)19(27)11-16(13)22(15)24(17)2/h5-8,10-11,17,26-27H,9H2,1-4H3/t17-/m0/s1 |
| Smiles | CC(=O)C[C@H]1C2=C(C=CC(=C2OC)OC)C3=C(N1C)C4=CC(=C(C=C4C=C3)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Lucida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all