Kuwanone S
PubChem CID: 6450924
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| Compound Synonyms | Kuwanon S, Kuwanone S, 100187-67-5, 2-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one, 2-(3-((E)-3,7-Dimethyl-octa-2,6-dienyl)-4-hydroxy-phenyl)-5,7-dihydroxy-1-benzopyran-4-one, 2-[3-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxyphenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one, 2-(3-((2E)-3,7-dimethylocta-2,6-dienyl)-4-hydroxyphenyl)-5,7-dihydroxychromen-4-one, 2-[3-((E)-3,7-Dimethyl-octa-2,6-dienyl)-4-hydroxy-phenyl]-5,7-dihydroxy-1-benzopyran-4-one, LMPK12110411, 2-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxy-phenyl]-5,7-dihydroxy-chromen-4-one, 4H-1-Benzopyran-4-one, 2-[3-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-4-hydroxyphenyl]-5,7-dihydroxy- |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 702.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.5 |
| Molecular Formula | C25H26O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UXXAQCSTQAIKEM-FRKPEAEDSA-N |
| Fcsp3 | 0.24 |
| Logs | -2.567 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.747 |
| Compound Name | Kuwanone S |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 406.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 406.178 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 406.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.924630266666668 |
| Inchi | InChI=1S/C25H26O5/c1-15(2)5-4-6-16(3)7-8-17-11-18(9-10-20(17)27)23-14-22(29)25-21(28)12-19(26)13-24(25)30-23/h5,7,9-14,26-28H,4,6,8H2,1-3H3/b16-7+ |
| Smiles | CC(=CCC/C(=C/CC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)/C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients