1,2,5-Trihydroxy-4-(2-methylbut-3-en-2-yl)xanthen-9-one
PubChem CID: 60148490
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL4068177, BDBM50268297 |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 488.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2,5-trihydroxy-4-(2-methylbut-3-en-2-yl)xanthen-9-one |
| Prediction Hob | 1.0 |
| Target Id | NPT178 |
| Xlogp | 4.4 |
| Molecular Formula | C18H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OBZOCMORJAPERH-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.37 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.788 |
| Compound Name | 1,2,5-Trihydroxy-4-(2-methylbut-3-en-2-yl)xanthen-9-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 312.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 312.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.207024982608695 |
| Inchi | InChI=1S/C18H16O5/c1-4-18(2,3)10-8-12(20)15(22)13-14(21)9-6-5-7-11(19)16(9)23-17(10)13/h4-8,19-20,22H,1H2,2-3H3 |
| Smiles | CC(C)(C=C)C1=CC(=C(C2=C1OC3=C(C2=O)C=CC=C3O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Symphonia Globulifera (Plant) Rel Props:Source_db:cmaup_ingredients