Kava Kava
PubChem CID: 5899068
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| Compound Synonyms | Methysticin, Kava Kava, 20697-20-5, 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2,3-dihydropyran-6-one, (E)-6-(2-(benzo[d][1,3]dioxol-5-yl)vinyl)-4-methoxy-5,6-dihydro-2H-pyran-2-one, 2H-Pyran-2-one,6-[(1E)-2-(1,3-benzodioxol-5-yl)ethenyl]-5,6-dihydro-4-methoxy-, (6R)-, Yangona, Sakau, Tonga, KavaKava, 2-((E)-2-(1,3-benzodioxol-5-yl)ethenyl)-4-methoxy-2,3-dihydropyran-6-one, Intoxicating pepper, DL-Methysticin, ()-Methystici, CCRIS 9367, SCHEMBL2357194, SCHEMBL2357205, HSDB 8145, HY-N0922, NSC23877, NSC-23877, AKOS015913237, CS-4246, AS-79505, 6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-5,6-dihydro-2H-pyran-2-one |
|---|---|
| Topological Polar Surface Area | 54.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 428.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2,3-dihydropyran-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C15H14O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GTEXBOVBADJOQH-DUXPYHPUSA-N |
| Fcsp3 | 0.2666666666666666 |
| Logs | -3.532 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.271 |
| Compound Name | Kava Kava |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 274.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 274.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 274.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.0512864000000004 |
| Inchi | InChI=1S/C15H14O5/c1-17-12-7-11(20-15(16)8-12)4-2-10-3-5-13-14(6-10)19-9-18-13/h2-6,8,11H,7,9H2,1H3/b4-2+ |
| Smiles | COC1=CC(=O)OC(C1)/C=C/C2=CC3=C(C=C2)OCO3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Piper Methysticum (Plant) Rel Props:Source_db:cmaup_ingredients