Atractylochromene
PubChem CID: 10244247
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| Compound Synonyms | ATRACTYLOCHROMENE, 203443-33-8, CHEMBL450070, 2,8-dimethyl-2-(4-methylpent-3-enyl)chromen-6-ol, SCHEMBL2991263, DIA44333, HY-N8480, BDBM50259939, AKOS040761388, FS-8270, DA-50786, CS-0144682, 2,8-Dimethyl-2-(4-methylpent-3-en-1-yl)-2H-chromen-6-ol, 2,8-DIMETHYL-2-(4-METHYLPENT-3-EN-1-YL)CHROMEN-6-OL, 2,8-dimethyl-6-hydroxy-2-(4-methyl-3-pentenyl)-2h-chromene |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 367.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P23219, P09917 |
| Iupac Name | 2,8-dimethyl-2-(4-methylpent-3-enyl)chromen-6-ol |
| Prediction Hob | 1.0 |
| Target Id | NPT30, NPT570 |
| Xlogp | 4.8 |
| Molecular Formula | C17H22O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | OBBCGWKGCBJQIW-UHFFFAOYSA-N |
| Fcsp3 | 0.4117647058823529 |
| Logs | -4.064 |
| Rotatable Bond Count | 3.0 |
| Logd | 4.444 |
| Compound Name | Atractylochromene |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 258.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 258.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 258.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.507822410526315 |
| Inchi | InChI=1S/C17H22O2/c1-12(2)6-5-8-17(4)9-7-14-11-15(18)10-13(3)16(14)19-17/h6-7,9-11,18H,5,8H2,1-4H3 |
| Smiles | CC1=CC(=CC2=C1OC(C=C2)(C)CCC=C(C)C)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all