6-(7-hydroxy-3,4-dihydro-2H-chromen-2-yl)-2,2-dimethyl-7-(3-methylbut-2-enyl)chromen-8-ol
PubChem CID: 70673796
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| Compound Synonyms | CHEMBL2235440, BDBM50486910, B0005-444267 |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 635.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-(7-hydroxy-3,4-dihydro-2H-chromen-2-yl)-2,2-dimethyl-7-(3-methylbut-2-enyl)chromen-8-ol |
| Prediction Hob | 1.0 |
| Xlogp | 6.0 |
| Molecular Formula | C25H28O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QSCBHDIGHKHWKC-UHFFFAOYSA-N |
| Fcsp3 | 0.36 |
| Logs | -3.141 |
| Rotatable Bond Count | 3.0 |
| Logd | 4.747 |
| Compound Name | 6-(7-hydroxy-3,4-dihydro-2H-chromen-2-yl)-2,2-dimethyl-7-(3-methylbut-2-enyl)chromen-8-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 392.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 392.199 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 392.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.130175896551724 |
| Inchi | InChI=1S/C25H28O4/c1-15(2)5-9-19-20(13-17-11-12-25(3,4)29-24(17)23(19)27)21-10-7-16-6-8-18(26)14-22(16)28-21/h5-6,8,11-14,21,26-27H,7,9-10H2,1-4H3 |
| Smiles | CC(=CCC1=C(C=C2C=CC(OC2=C1O)(C)C)C3CCC4=C(O3)C=C(C=C4)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Daphne Giraldii (Plant) Rel Props:Source_db:cmaup_ingredients