3,9-Dimethoxypterocarpan
PubChem CID: 454892
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 3,9-Dimethoxypterocarpan, Baphinitone, (-)-Homopterocarpin, 3,9-Dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene, CHEMBL277682, SCHEMBL12810250, VPGIGLKLCFOWDN-UHFFFAOYSA-, 6H-Benzofuro[3,2-c][1]benzopyran, 6a,11a-dihydro-3,9-dimethoxy-, (6aR-cis)-, VPGIGLKLCFOWDN-UHFFFAOYSA-N, (6aR,11aR)-6a,11a-Dihydro-3,9-dimethoxy-6H-benzofuro[3,2-c][1]benzopyran, (-)-Homopterocarpin, 3,9-Dimethoxypterocarpan, LMPK12070031, AKOS000276806, AKOS032948878, 3,9-dimethoxy-6a,11a-dihydro-6H-benzofuro[3,2-c]chromene, 3,9-Dimethoxy-6a,-cis-11a-dihydro-6H-benzofuro[3,2-c][1]benzopyran, 6H-Benzofuro[3,2-c][1]benzopyran, 6a,11a-dihydro-3,9-dimethoxy-,(6aR,11aR)-, InChI=1/C17H16O4/c1-18-10-4-6-13-15(7-10)20-9-14-12-5-3-11(19-2)8-16(12)21-17(13)14/h3-8,14,17H,9H2,1-2H3 |
|---|---|
| Topological Polar Surface Area | 36.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 374.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,9-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Is Pains | False |
| Molecular Formula | C17H16O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | VPGIGLKLCFOWDN-UHFFFAOYSA-N |
| Fcsp3 | 0.2941176470588235 |
| Rotatable Bond Count | 2.0 |
| Compound Name | 3,9-Dimethoxypterocarpan |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 284.105 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 284.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 284.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8402853428571433 |
| Inchi | InChI=1S/C17H16O4/c1-18-10-4-6-13-15(7-10)20-9-14-12-5-3-11(19-2)8-16(12)21-17(13)14/h3-8,14,17H,9H2,1-2H3 |
| Smiles | COC1=CC2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)OC |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Erycibe Expansa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Maackia Amurensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Pericopsis Angolensis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Plantago Asiatica (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Pterocarpus Indicus (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Salvia Plebeia (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Swartzia Madagascariensis (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Trifolium Hybridum (Plant) Rel Props:Source_db:cmaup_ingredients