1,6-Dihydroxy-5-methoxy-7-(3-methylbut-2-enyl)xanthen-9-one
PubChem CID: 5317658
Connections displayed (default: 10).
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| Topological Polar Surface Area | 76.0 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 498.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,6-dihydroxy-5-methoxy-7-(3-methylbut-2-enyl)xanthen-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C19H18O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KAGMDUVDNXNTNK-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -3.616 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.937 |
| Compound Name | 1,6-Dihydroxy-5-methoxy-7-(3-methylbut-2-enyl)xanthen-9-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 326.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 326.115 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 326.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.404524266666666 |
| Inchi | InChI=1S/C19H18O5/c1-10(2)7-8-11-9-12-17(22)15-13(20)5-4-6-14(15)24-18(12)19(23-3)16(11)21/h4-7,9,20-21H,8H2,1-3H3 |
| Smiles | CC(=CCC1=CC2=C(C(=C1O)OC)OC3=CC=CC(=C3C2=O)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Linii (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Symphonia Globulifera (Plant) Rel Props:Source_db:cmaup_ingredients