(2R,3R)-3,4',7-trihydroxy-3'-prenylflavane
PubChem CID: 90000405
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| Compound Synonyms | CHEMBL4101699, SCHEMBL15514242, (2R,3R)-3,4',7-trihydroxy-3'-prenylflavane |
|---|---|
| Topological Polar Surface Area | 69.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 445.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R,3R)-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-3,4-dihydro-2H-chromene-3,7-diol |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C20H22O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | PTZNBCJWCJFLPQ-UYAOXDASSA-N |
| Fcsp3 | 0.3 |
| Logs | -3.496 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.526 |
| Compound Name | (2R,3R)-3,4',7-trihydroxy-3'-prenylflavane |
| 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 | -4.5871303999999995 |
| Inchi | InChI=1S/C20H22O4/c1-12(2)3-4-13-9-15(6-8-17(13)22)20-18(23)10-14-5-7-16(21)11-19(14)24-20/h3,5-9,11,18,20-23H,4,10H2,1-2H3/t18-,20-/m1/s1 |
| Smiles | CC(=CCC1=C(C=CC(=C1)[C@@H]2[C@@H](CC3=C(O2)C=C(C=C3)O)O)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Source_db:cmaup_ingredients