4-Hydroxyhomopterocarpin
PubChem CID: 442792
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 4-Hydroxyhomopterocarpin, Melilotocarpan A, 61135-95-3, 4-Homopterocarpinol, C8GUD7FQ4N, Melilotocarpan A, (-)-, UNII-C8GUD7FQ4N, (6aR,11aR)-3,9-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-4-ol, (6aR,11aR)-3,9-Dimethoxy-6a,11a-dihydro-6H-(1)benzofuro(3,2-C)chromen-4-ol, (6aR,11aR)-6a,11a-Dihydro-3,9-dimethoxy-6H-benzofuro(3,2-C)(1)benzopyran-4-ol, 6H-Benzofuro(3,2-C)(1)benzopyran-4-ol, 6a,11a-dihydro-3,9-dimethoxy-, (6aR,11aR)-, (6aR,11aR)-6a,11a-Dihydro-3,9-dimethoxy-6H-benzofuro[3,2-c][1]benzopyran-4-ol, 6H-Benzofuro[3,2-c][1]benzopyran-4-ol, 6a,11a-dihydro-3,9-dimethoxy-, (6aR,11aR)-, C10461, CHEBI:1867, DTXSID70331954, LMPK12070072, Q27105514 |
|---|---|
| Topological Polar Surface Area | 57.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 403.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (6aR,11aR)-3,9-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-4-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C17H16O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YHSXPHNOIMTWTH-LRDDRELGSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -4.27 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.871 |
| Compound Name | 4-Hydroxyhomopterocarpin |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 300.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 300.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5989583636363633 |
| Inchi | InChI=1S/C17H16O5/c1-19-9-3-4-10-12-8-21-17-11(16(12)22-14(10)7-9)5-6-13(20-2)15(17)18/h3-7,12,16,18H,8H2,1-2H3/t12-,16-/m0/s1 |
| Smiles | COC1=CC2=C(C=C1)[C@@H]3COC4=C([C@@H]3O2)C=CC(=C4O)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cinnamomum Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Dalbergia Odorifera (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Pterocarpus Santalinus (Plant) Rel Props:Source_db:cmaup_ingredients