Phellodensin D
PubChem CID: 5316782
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| Compound Synonyms | Phellodensin D, 5,4'-Dihydroxy-2''-(1-hydroxy-1-methylethyl)dihydrofuro[2,3-h]flavanone, (2S)-5-hydroxy-2-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one, (2S)-5-hydroxy-2-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-2,3,8,9-tetrahydrofuro(2,3-h)chromen-4-one, CHEBI:197109, LMPK12140268, (2S)-5-hydroxy-2-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-2,3,8,9-tetrahydrouro[2,3-h]chromen-4-one, 531503-84-1 |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 540.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-5-hydroxy-2-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C20H20O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZBVQSGGQLPHKKZ-MYJWUSKBSA-N |
| Fcsp3 | 0.35 |
| Logs | -3.903 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.684 |
| Compound Name | Phellodensin D |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 356.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 356.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 356.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.991557261538462 |
| Inchi | InChI=1S/C20H20O6/c1-20(2,24)17-7-12-16(25-17)9-14(23)18-13(22)8-15(26-19(12)18)10-3-5-11(21)6-4-10/h3-6,9,15,17,21,23-24H,7-8H2,1-2H3/t15-,17?/m0/s1 |
| Smiles | CC(C)(C1CC2=C(O1)C=C(C3=C2O[C@@H](CC3=O)C4=CC=C(C=C4)O)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Phellodendron Amurense (Plant) Rel Props:Source_db:cmaup_ingredients