1,3-Dimethoxy-2-(3-methylbut-2-enyl)-6,11b-dihydro-[1]benzofuro[2,3-c]chromene-6a,9-diol
PubChem CID: 127044862
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| Compound Synonyms | CHEMBL3810076 |
|---|---|
| Topological Polar Surface Area | 77.4 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 590.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3-dimethoxy-2-(3-methylbut-2-enyl)-6,11b-dihydro-[1]benzofuro[2,3-c]chromene-6a,9-diol |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C22H24O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YVILLTFCOBTXAY-UHFFFAOYSA-N |
| Fcsp3 | 0.3636363636363636 |
| Logs | -4.005 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.528 |
| Compound Name | 1,3-Dimethoxy-2-(3-methylbut-2-enyl)-6,11b-dihydro-[1]benzofuro[2,3-c]chromene-6a,9-diol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 384.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 384.157 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 384.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.758796457142857 |
| Inchi | InChI=1S/C22H24O6/c1-12(2)5-7-15-16(25-3)10-18-19(21(15)26-4)20-14-8-6-13(23)9-17(14)28-22(20,24)11-27-18/h5-6,8-10,20,23-24H,7,11H2,1-4H3 |
| Smiles | CC(=CCC1=C(C=C2C(=C1OC)C3C4=C(C=C(C=C4)O)OC3(CO2)O)OC)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients