Cathafuran C
PubChem CID: 44139123
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| Compound Synonyms | Cathafuran C, CHEMBL550963, 5-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethyl-6-(3-methylbut-2-enyl)chromen-7-ol, 1134468-22-6 |
|---|---|
| Topological Polar Surface Area | 62.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 620.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 5-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethyl-6-(3-methylbut-2-enyl)chromen-7-ol |
| Prediction Hob | 1.0 |
| Xlogp | 6.1 |
| Molecular Formula | C24H24O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GOEBZSDXWQBKPF-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -2.883 |
| Rotatable Bond Count | 3.0 |
| Logd | 4.611 |
| Compound Name | Cathafuran C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 376.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 376.167 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 376.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.23433097142857 |
| Inchi | InChI=1S/C24H24O4/c1-14(2)5-8-17-19(26)13-21-18(9-10-24(3,4)28-21)23(17)22-11-15-6-7-16(25)12-20(15)27-22/h5-7,9-13,25-26H,8H2,1-4H3 |
| Smiles | CC(=CCC1=C(C2=C(C=C1O)OC(C=C2)(C)C)C3=CC4=C(O3)C=C(C=C4)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Morus Cathayana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all