Daurichromene C
PubChem CID: 10450086
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| Compound Synonyms | DAURICHROMENE C, (2R)-2-((3E,6Z)-8-hydroxy-4,8-dimethylnona-3,6-dienyl)-2,7-dimethylchromen-5-ol, (2R)-2-[(3E,6Z)-8-hydroxy-4,8-dimethylnona-3,6-dienyl]-2,7-dimethylchromen-5-ol, CHEMBL521071 |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 531.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-2-[(3E,6Z)-8-hydroxy-4,8-dimethylnona-3,6-dienyl]-2,7-dimethylchromen-5-ol |
| Prediction Hob | 1.0 |
| Xlogp | 5.1 |
| Molecular Formula | C22H30O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HNSJSAWPTOJTEL-MOAHZESKSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -4.265 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.961 |
| Compound Name | Daurichromene C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 342.219 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 342.219 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 342.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -4.945369800000001 |
| Inchi | InChI=1S/C22H30O3/c1-16(8-6-11-21(3,4)24)9-7-12-22(5)13-10-18-19(23)14-17(2)15-20(18)25-22/h6,9-11,13-15,23-24H,7-8,12H2,1-5H3/b11-6-,16-9+/t22-/m1/s1 |
| Smiles | CC1=CC(=C2C=C[C@@](OC2=C1)(C)CC/C=C(\C)/C/C=C\C(C)(C)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rhododendron Dauricum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all