6,11-Dihydroxy-3,3-dimethyl-8-(3-methylbut-2-enyl)-10-propan-2-ylpyrano[2,3-c]xanthen-7-one
PubChem CID: 134146587
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| Compound Synonyms | CHEMBL3941816 |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 749.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,11-dihydroxy-3,3-dimethyl-8-(3-methylbut-2-enyl)-10-propan-2-ylpyrano[2,3-c]xanthen-7-one |
| Prediction Hob | 1.0 |
| Xlogp | 6.8 |
| Molecular Formula | C26H28O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JXLLLAOCMCIKAG-UHFFFAOYSA-N |
| Fcsp3 | 0.3461538461538461 |
| Logs | -2.783 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.51 |
| Compound Name | 6,11-Dihydroxy-3,3-dimethyl-8-(3-methylbut-2-enyl)-10-propan-2-ylpyrano[2,3-c]xanthen-7-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 420.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 420.194 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 420.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.194924548387097 |
| Inchi | InChI=1S/C26H28O5/c1-13(2)7-8-15-11-17(14(3)4)22(28)25-20(15)23(29)21-18(27)12-19-16(24(21)30-25)9-10-26(5,6)31-19/h7,9-12,14,27-28H,8H2,1-6H3 |
| Smiles | CC(C)C1=C(C2=C(C(=C1)CC=C(C)C)C(=O)C3=C(O2)C4=C(C=C3O)OC(C=C4)(C)C)O |
| Nring | 8.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Oligantha (Plant) Rel Props:Source_db:cmaup_ingredients