Globulixanthone A
PubChem CID: 5323527
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| Compound Synonyms | Globulixanthone A, globuli-xanthone A, 1,6-dihydroxy-5-methoxy-7-[(1E)-3-methylbuta-1,3-dienyl]xanthen-9-one, 1,6-Dihydroxy-5-methoxy-7-(3-methyl-buta-1,3-dienyl)-xanthen-9-one, 1,6-dihydroxy-5-methoxy-7-[(1E)-3-methylbuta-1,3-dien-1-yl]-9H-xanthen-9-one, 9H-xanthen-9-one, 1,6-dihydroxy-5-methoxy-7-[(1E)-3-methyl-1,3-butadienyl]-, 1,6-dihydroxy-5-methoxy-7-((1E)-3-methylbuta-1,3-dienyl)xanthen-9-one, 1,6-dihydroxy-5-methoxy-7-((1E)-3-methylbuta-1,3-dien-1-yl)-9H-xanthen-9-one, 9H-xanthen-9-one, 1,6-dihydroxy-5-methoxy-7-((1E)-3-methyl-1,3-butadienyl)-, CHEMBL464342, 436807-62-4 |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 528.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,6-dihydroxy-5-methoxy-7-[(1E)-3-methylbuta-1,3-dienyl]xanthen-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.8 |
| Molecular Formula | C19H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HWBGGUSOSGUXJQ-BQYQJAHWSA-N |
| Fcsp3 | 0.1052631578947368 |
| Logs | -3.812 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.028 |
| Compound Name | Globulixanthone A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 324.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 324.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 324.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.461325066666666 |
| Inchi | InChI=1S/C19H16O5/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/h4-9,20-21H,1H2,2-3H3/b8-7+ |
| Smiles | CC(=C)/C=C/C1=CC2=C(C(=C1O)OC)OC3=CC=CC(=C3C2=O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Symphonia Globulifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all