2-[(7S)-2,2-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]chromen-7-yl]-5-methoxyphenol
PubChem CID: 163096137
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 47.9 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 502.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 2-[(7S)-2,2-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]chromen-7-yl]-5-methoxyphenol |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C21H22O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DRIPWQOGMJYOPU-OAHLLOKOSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -4.587 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.456 |
| Compound Name | 2-[(7S)-2,2-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]chromen-7-yl]-5-methoxyphenol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 338.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 338.152 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 338.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.813598600000001 |
| Inchi | InChI=1S/C21H22O4/c1-21(2)7-6-13-8-14-9-15(12-24-19(14)11-20(13)25-21)17-5-4-16(23-3)10-18(17)22/h4-8,10-11,15,22H,9,12H2,1-3H3/t15-/m1/s1 |
| Smiles | CC1(C=CC2=C(O1)C=C3C(=C2)C[C@H](CO3)C4=C(C=C(C=C4)OC)O)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mitracarpus Scaber (Plant) Rel Props:Source_db:cmaup_ingredients