Khonklonginol F
PubChem CID: 44178659
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| Compound Synonyms | KHONKLONGINOL F, 5,7-dihydroxy-8-(4-methoxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano(3,2-g)chromen-6-one, 5,7-dihydroxy-8-(4-methoxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one, CHEMBL562377, 1159909-73-5 |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 812.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-8-(4-methoxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 6.1 |
| Molecular Formula | C26H26O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GHEBWBVTFSMHIJ-UHFFFAOYSA-N |
| Fcsp3 | 0.2692307692307692 |
| Logs | -2.751 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.117 |
| Compound Name | Khonklonginol F |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 434.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 434.173 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 434.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.085925600000001 |
| Inchi | InChI=1S/C26H26O6/c1-14(2)6-11-18-24-17(12-13-26(3,4)32-24)20(27)19-21(28)22(29)23(31-25(18)19)15-7-9-16(30-5)10-8-15/h6-10,12-13,27,29H,11H2,1-5H3 |
| Smiles | CC(=CCC1=C2C(=C(C3=C1OC(=C(C3=O)O)C4=CC=C(C=C4)OC)O)C=CC(O2)(C)C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eriosema Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all