4-[7-hydroxy-6-(3-methylbut-3-en-2-yl)-3,4-dihydro-2H-chromen-3-yl]benzene-1,3-diol
PubChem CID: 10336496
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| Topological Polar Surface Area | 69.9 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 451.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[7-hydroxy-6-(3-methylbut-3-en-2-yl)-3,4-dihydro-2H-chromen-3-yl]benzene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C20H22O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UGWHNVINPXBBMX-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Logs | -4.017 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.824 |
| Compound Name | 4-[7-hydroxy-6-(3-methylbut-3-en-2-yl)-3,4-dihydro-2H-chromen-3-yl]benzene-1,3-diol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 326.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 326.152 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 326.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.9525304 |
| Inchi | InChI=1S/C20H22O4/c1-11(2)12(3)17-7-13-6-14(10-24-20(13)9-19(17)23)16-5-4-15(21)8-18(16)22/h4-5,7-9,12,14,21-23H,1,6,10H2,2-3H3 |
| Smiles | CC(C1=C(C=C2C(=C1)CC(CO2)C3=C(C=C(C=C3)O)O)O)C(=C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Millettia Racemosa (Plant) Rel Props:Source_db:cmaup_ingredients