6-(2,2-Dimethylchromen-6-yl)-2,2-dimethylchromen-8-ol
PubChem CID: 24882249
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 38.7 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 562.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-(2,2-dimethylchromen-6-yl)-2,2-dimethylchromen-8-ol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 5.0 |
| Is Pains | False |
| Molecular Formula | C22H22O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MCFNMYNIZCFNFK-UHFFFAOYSA-N |
| Fcsp3 | 0.2727272727272727 |
| Rotatable Bond Count | 1.0 |
| Compound Name | 6-(2,2-Dimethylchromen-6-yl)-2,2-dimethylchromen-8-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 334.157 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 334.157 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 334.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.377773 |
| Inchi | InChI=1S/C22H22O3/c1-21(2)9-7-15-11-14(5-6-19(15)24-21)17-12-16-8-10-22(3,4)25-20(16)18(23)13-17/h5-13,23H,1-4H3 |
| Smiles | CC1(C=CC2=C(O1)C=CC(=C2)C3=CC4=C(C(=C3)O)OC(C=C4)(C)C)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cistanche Salsa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Garcinia Oblongifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Neomeris Annulata (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Trifolium Resupinatum (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Zanthoxylum Decaryi (Plant) Rel Props:Source_db:cmaup_ingredients