Cathafuran B
PubChem CID: 44139000
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| Compound Synonyms | Cathafuran B, 5-(6-hydroxy-7-(3-methylbut-2-enyl)-1-benzofuran-2-yl)-4-(3-methylbut-2-enyl)benzene-1,3-diol, 5-[6-hydroxy-7-(3-methylbut-2-enyl)-1-benzofuran-2-yl]-4-(3-methylbut-2-enyl)benzene-1,3-diol, CHEMBL561161, 1134468-20-4 |
|---|---|
| Topological Polar Surface Area | 73.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 575.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 5-[6-hydroxy-7-(3-methylbut-2-enyl)-1-benzofuran-2-yl]-4-(3-methylbut-2-enyl)benzene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 6.8 |
| Molecular Formula | C24H26O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RIKHTPZRKHGXPO-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -2.85 |
| Rotatable Bond Count | 5.0 |
| Logd | 4.219 |
| Compound Name | Cathafuran B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 378.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 378.183 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 378.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.518030171428571 |
| Inchi | InChI=1S/C24H26O4/c1-14(2)5-8-18-20(12-17(25)13-22(18)27)23-11-16-7-10-21(26)19(24(16)28-23)9-6-15(3)4/h5-7,10-13,25-27H,8-9H2,1-4H3 |
| Smiles | CC(=CCC1=C(C=CC2=C1OC(=C2)C3=C(C(=CC(=C3)O)O)CC=C(C)C)O)C |
| Nring | 3.0 |
| 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