5,9,10-trihydroxy-1,1,2-trimethyl-2H-furo[2,3-c]xanthen-6-one
PubChem CID: 10336602
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| Compound Synonyms | CHEMBL3357573, 5,9,10-trihydroxy-1,1,2-trimethyl-2H-furo[2,3-c]xanthen-6-one, 6H-Furo[2,3-c]xanthen-6-one, 1,2-dihydro-5,9,10-trihydroxy-1,1,2-trimethyl- |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 534.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 5,9,10-trihydroxy-1,1,2-trimethyl-2H-furo[2,3-c]xanthen-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C18H16O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YAEYZUNXGHROJK-UHFFFAOYSA-N |
| Fcsp3 | 0.2777777777777778 |
| Logs | -4.122 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.561 |
| Compound Name | 5,9,10-trihydroxy-1,1,2-trimethyl-2H-furo[2,3-c]xanthen-6-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 328.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 328.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 328.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.022550666666666 |
| Inchi | InChI=1S/C18H16O6/c1-7-18(2,3)13-11(23-7)6-10(20)12-14(21)8-4-5-9(19)15(22)16(8)24-17(12)13/h4-7,19-20,22H,1-3H3 |
| Smiles | CC1C(C2=C(O1)C=C(C3=C2OC4=C(C3=O)C=CC(=C4O)O)O)(C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cudrania Tricuspidata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all