4-[(E)-2-(5-methoxy-2,2-dimethylchromen-7-yl)ethenyl]phenol
PubChem CID: 10542828
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL463404, BDBM50241696, 4-hydroxy-5''-methoxy-6'''',6''''-dimethyl-pyran[2'''',3'''',3'',4'']stilbene |
|---|---|
| Topological Polar Surface Area | 38.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 446.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P11926, n.a. |
| Iupac Name | 4-[(E)-2-(5-methoxy-2,2-dimethylchromen-7-yl)ethenyl]phenol |
| Prediction Hob | 1.0 |
| Target Id | NPT2680 |
| Xlogp | 4.7 |
| Molecular Formula | C20H20O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FQMHTDGEFUNXNZ-SNAWJCMRSA-N |
| Fcsp3 | 0.2 |
| Logs | -4.651 |
| Rotatable Bond Count | 3.0 |
| Logd | 4.798 |
| Compound Name | 4-[(E)-2-(5-methoxy-2,2-dimethylchromen-7-yl)ethenyl]phenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 308.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 308.141 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 308.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.919924356521739 |
| Inchi | InChI=1S/C20H20O3/c1-20(2)11-10-17-18(22-3)12-15(13-19(17)23-20)5-4-14-6-8-16(21)9-7-14/h4-13,21H,1-3H3/b5-4+ |
| Smiles | CC1(C=CC2=C(O1)C=C(C=C2OC)/C=C/C3=CC=C(C=C3)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Achillea Cretica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cordia Americana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Eupatorium Riparium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Glycosmis Montana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Pedicularis Semitorta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Scopolia Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all