6-[2,2-Dimethyl-8-(3-methylbut-2-enyl)chromen-6-yl]-2,2-dimethylchromen-8-ol
PubChem CID: 24882247
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 38.7 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 712.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-[2,2-dimethyl-8-(3-methylbut-2-enyl)chromen-6-yl]-2,2-dimethylchromen-8-ol |
| Prediction Hob | 1.0 |
| Xlogp | 7.0 |
| Molecular Formula | C27H30O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ALXVGKQZPCQVFB-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -3.186 |
| Rotatable Bond Count | 3.0 |
| Logd | 5.824 |
| Compound Name | 6-[2,2-Dimethyl-8-(3-methylbut-2-enyl)chromen-6-yl]-2,2-dimethylchromen-8-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 402.219 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 402.219 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 402.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.824810800000001 |
| Inchi | InChI=1S/C27H30O3/c1-17(2)7-8-18-13-21(14-19-9-11-26(3,4)29-24(18)19)22-15-20-10-12-27(5,6)30-25(20)23(28)16-22/h7,9-16,28H,8H2,1-6H3 |
| Smiles | CC(=CCC1=CC(=CC2=C1OC(C=C2)(C)C)C3=CC4=C(C(=C3)O)OC(C=C4)(C)C)C |
| Nring | 4.0 |
| 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 Piper Wightii (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Trifolium Resupinatum (Plant) Rel Props:Source_db:cmaup_ingredients