6,9,10,11-Tetrahydroxy-3,3-dimethyl-8-(3-methylbut-2-enyl)pyrano[2,3-c]xanthen-7-one
PubChem CID: 134152539
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| Compound Synonyms | CHEMBL3979522 |
|---|---|
| Topological Polar Surface Area | 116.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 740.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,9,10,11-tetrahydroxy-3,3-dimethyl-8-(3-methylbut-2-enyl)pyrano[2,3-c]xanthen-7-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.9 |
| Molecular Formula | C23H22O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BTXSBSAACLLKAJ-UHFFFAOYSA-N |
| Fcsp3 | 0.2608695652173913 |
| Logs | -3.643 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.947 |
| Compound Name | 6,9,10,11-Tetrahydroxy-3,3-dimethyl-8-(3-methylbut-2-enyl)pyrano[2,3-c]xanthen-7-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 410.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 410.137 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 410.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.056649733333335 |
| Inchi | InChI=1S/C23H22O7/c1-10(2)5-6-12-15-18(26)16-13(24)9-14-11(7-8-23(3,4)30-14)21(16)29-22(15)20(28)19(27)17(12)25/h5,7-9,24-25,27-28H,6H2,1-4H3 |
| Smiles | CC(=CCC1=C2C(=C(C(=C1O)O)O)OC3=C(C2=O)C(=CC4=C3C=CC(O4)(C)C)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Oligantha (Plant) Rel Props:Source_db:cmaup_ingredients