7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1,3-dihydroxyxanthen-9-one
PubChem CID: 5317563
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| Compound Synonyms | CHEMBL4209191, 7-Geranyloxy-1,3-dihydroxyxanthone, CHEBI:189485, 7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1,3-dihydroxyxanthen-9-one, BDBM50454323, NS00097025, 7-{[(2e)-3,7-dimethyl-2,6-octadien-1-yl]oxy}-1,3-dihydroxy-9h-xanthen-9-one, NCGC00385176-01!7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1,3-dihydroxyxanthen-9-one |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 606.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1,3-dihydroxyxanthen-9-one |
| Prediction Hob | 1.0 |
| Target Id | NPT178 |
| Xlogp | 6.1 |
| Molecular Formula | C23H24O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WOPKDKPJTJHLPB-OQLLNIDSSA-N |
| Fcsp3 | 0.2608695652173913 |
| Logs | -3.337 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.935 |
| Compound Name | 7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1,3-dihydroxyxanthen-9-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 380.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 380.162 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 380.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -6.381128 |
| Inchi | InChI=1S/C23H24O5/c1-14(2)5-4-6-15(3)9-10-27-17-7-8-20-18(13-17)23(26)22-19(25)11-16(24)12-21(22)28-20/h5,7-9,11-13,24-25H,4,6,10H2,1-3H3/b15-9+ |
| Smiles | CC(=CCC/C(=C/COC1=CC2=C(C=C1)OC3=CC(=CC(=C3C2=O)O)O)/C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cratoxylum Cochinchinense (Plant) Rel Props:Source_db:cmaup_ingredients