(2R)-7-hydroxy-2-[4-methyl-3,5-bis(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one
PubChem CID: 163078567
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| Topological Polar Surface Area | 46.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 596.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-7-hydroxy-2-[4-methyl-3,5-bis(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 6.8 |
| Molecular Formula | C26H30O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NTHAXNMCJQHGMF-RUZDIDTESA-N |
| Fcsp3 | 0.3461538461538461 |
| Logs | -5.455 |
| Rotatable Bond Count | 5.0 |
| Logd | 4.632 |
| Compound Name | (2R)-7-hydroxy-2-[4-methyl-3,5-bis(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 390.219 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 390.219 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 390.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.565549496551724 |
| Inchi | InChI=1S/C26H30O3/c1-16(2)6-8-19-12-21(13-20(18(19)5)9-7-17(3)4)25-15-24(28)23-11-10-22(27)14-26(23)29-25/h6-7,10-14,25,27H,8-9,15H2,1-5H3/t25-/m1/s1 |
| Smiles | CC1=C(C=C(C=C1CC=C(C)C)[C@H]2CC(=O)C3=C(O2)C=C(C=C3)O)CC=C(C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Erythrina Abyssinica (Plant) Rel Props:Source_db:cmaup_ingredients