6-[4-Hydroxy-3-(3-methylbut-2-enyl)phenyl]-2,2-dimethylchromen-8-ol
PubChem CID: 24882170
Connections displayed (default: 10).
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| Topological Polar Surface Area | 49.7 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 517.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-2,2-dimethylchromen-8-ol |
| Prediction Hob | 1.0 |
| Xlogp | 5.7 |
| Molecular Formula | C22H24O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XYMYNTXSCZZMEL-UHFFFAOYSA-N |
| Fcsp3 | 0.2727272727272727 |
| Logs | -3.161 |
| Rotatable Bond Count | 3.0 |
| Logd | 4.721 |
| Compound Name | 6-[4-Hydroxy-3-(3-methylbut-2-enyl)phenyl]-2,2-dimethylchromen-8-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 336.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 336.173 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 336.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.6677722 |
| Inchi | InChI=1S/C22H24O3/c1-14(2)5-6-16-11-15(7-8-19(16)23)18-12-17-9-10-22(3,4)25-21(17)20(24)13-18/h5,7-13,23-24H,6H2,1-4H3 |
| Smiles | CC(=CCC1=C(C=CC(=C1)C2=CC3=C(C(=C2)O)OC(C=C3)(C)C)O)C |
| Nring | 3.0 |
| 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 - 6. Outgoing r'ship
FOUND_INto/from Zanthoxylum Decaryi (Plant) Rel Props:Source_db:cmaup_ingredients