Melilotocarpan D
PubChem CID: 5319351
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Melilotocarpan D, 4,10-Dihydroxy-3,9-dimethoxypterocarpan, 4,10-Dihydroxy-3,10-dimethoxypterocarpan, 3,9-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-4,10-diol, 3,9-dimethoxy-6a,11a-dihydro-6H-(1)benzofuro(3,2-c)chromene-4,10-diol, SCHEMBL20138484, CHEBI:175055, LMPK12070084, 3,9-dimethoxy-6a,11a-dihydro-6H-[1]benzouro[3,2-c]chromene-4,10-diol |
|---|---|
| Topological Polar Surface Area | 77.4 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Description | From Melilotus alba (white melilot). Melilotocarpan D is found in herbs and spices and pulses. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 431.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,9-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-4,10-diol |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C17H16O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | TYCXZCXHNKDQCZ-UHFFFAOYSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -3.85 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.456 |
| Synonyms | 4,10-Dihydroxy-3,10-dimethoxypterocarpan, 4,10-Dihydroxy-3,9-dimethoxypterocarpan, Melilotocarpan D |
| Compound Name | Melilotocarpan D |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 316.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 316.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 316.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4601027565217395 |
| Inchi | InChI=1S/C17H16O6/c1-20-11-6-4-9-15-10(7-22-16(9)13(11)18)8-3-5-12(21-2)14(19)17(8)23-15/h3-6,10,15,18-19H,7H2,1-2H3 |
| Smiles | COC1=C(C2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4O)OC)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dalbergia Odorifera (Plant) Rel Props:Source_db:cmaup_ingredients