4-Methoxypterocarpin
PubChem CID: 22296258
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| Compound Synonyms | 4-Methoxypterocarpin, 2694-70-4, (1R,12R)-16,17-dimethoxy-5,7,11,19-tetraoxapentacyclo(10.8.0.02,10.04,8.013,18)icosa-2,4(8),9,13(18),14,16-hexaene, (1R,12R)-16,17-dimethoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaene, CHEMBL480288, FNOOADLKGGWRGC-ZBEGNZNMSA-N, DTXSID901345686, 6H-[1,3]Dioxolo[5,6]benzofuro[3,2-c][1]benzopyran, 6a,12a-dihydro-3,4-dimethoxy-, (6aR-cis)-, Q63392838, 3,4-Dimethoxy-6a,12a-dihydro-6H-[1,3]dioxolo[4',5':5,6][1]benzofuro[3,2-c]chromene # |
|---|---|
| Topological Polar Surface Area | 55.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 472.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,12R)-16,17-dimethoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaene |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C18H16O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | FNOOADLKGGWRGC-ZBEGNZNMSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -5.203 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.029 |
| Compound Name | 4-Methoxypterocarpin |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 328.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 328.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 328.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9468840000000007 |
| Inchi | InChI=1S/C18H16O6/c1-19-12-4-3-9-16-11(7-21-17(9)18(12)20-2)10-5-14-15(23-8-22-14)6-13(10)24-16/h3-6,11,16H,7-8H2,1-2H3/t11-,16-/m0/s1 |
| Smiles | COC1=C(C2=C(C=C1)[C@H]3[C@@H](CO2)C4=CC5=C(C=C4O3)OCO5)OC |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Psychotria Rostrata (Plant) Rel Props:Source_db:cmaup_ingredients