Kavain
PubChem CID: 5281565
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| Compound Synonyms | Kawain, kavain, 500-64-1, (+)-Kavain, Gonosan, L-KAWAIN, (R)-(+)-Kavain, Kavain, dl-, Kawaih, D-Kawain, DTXSID5033595, W1ES06373M, NSC 112162, NSC-112162, (+)-KAWAIN, CHEBI:6117, 2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-styryl-, (+)-, DTXCID3013595, (R)-5,6-Dihydro-4-methoxy-6-styryl-2H-pyran-2-one, (R,E)-4-methoxy-6-styryl-5,6-dihydro-2H-pyran-2-one, KAWAIN (USP-RS), KAWAIN [USP-RS], Cavain, 2H-PYRAN-2-ONE, 5,6-DIHYDRO-4-METHOXY-6-STYRYL-, (R)-, 2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-(2-phenylethenyl)-, (R-(E))-, 2H-PYRAN-2-ONE, 5,6-DIHYDRO-4-METHOXY-6-((1E)-2-PHENYLETHENYL)-, (6R)-, kavaine, UNII-W1ES06373M, 2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-(2-phenylethenyl)-, [R-(E)]-, CAS-500-64-1, EINECS 207-907-2, (R)-Kawain, Kavain, 2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-styryl-, KAWAIN [WHO-DD], Prestwick2_000207, Prestwick3_000207, KAWAIN [MI], (+)-Kavain (Standard), BSPBio_000193, MLS002154236, SCHEMBL515202, BPBio1_000213, CHEMBL578607, 2,6-Heptadienoic acid, 5-hydroxy-3-methoxy-7-phenyl-, delta-lactone, CHEBI:92164, HY-B1671R, 4-Methoxy-6-(beta-phenylvinyl)-5,6-dihydro-alpha-pyrone, HMS1568J15, HMS2095J15, HMS2230N15, HMS3887G03, 5-Hydroxy-3-methoxy-7-phenyl-2,6-heptadienoic acid gamma-lactone, HY-B1671, Tox21_200907, NSC112162, s9409, AKOS030631732, CCG-266792, FK65505, NCGC00091905-01, NCGC00091905-02, NCGC00091905-03, NCGC00091905-05, NCGC00258461-01, AC-35093, DA-74729, MS-23309, SMR001233508, AB00513818, CS-0013634, NS00080159, C09947, D08096, Q3194310, BRD-K09497549-001-03-6, 2H-Pyran-2-one,6-dihydro-4-methoxy-6-styryl-, (+)-, 2H-Pyran-2-one,6-dihydro-4-methoxy-6-styryl-, (R)-, (2R)-4-methoxy-2-[(E)-styryl]-2,3-dihydropyran-6-one, (R-(E))-5,6-Dihydro-4-methoxy-6-styryl-2H-pyran-2-one, (6R)-4-methoxy-6-[(E)-2-phenylvinyl]-5,6-dihydro-2H-pyran-2-one, 2H-Pyran-2-one,6-dihydro-4-methoxy-6-(2-phenylethenyl)-, [R-(E)]-, 207-907-2 |
|---|---|
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 324.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one |
| Prediction Hob | 1.0 |
| Target Id | NPT94 |
| Xlogp | 2.5 |
| Molecular Formula | C14H14O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XEAQIWGXBXCYFX-GUOLPTJISA-N |
| Fcsp3 | 0.2142857142857142 |
| Logs | -3.25 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.531 |
| Compound Name | Kavain |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 230.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 230.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 230.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.931007070588236 |
| Inchi | InChI=1S/C14H14O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3/b8-7+/t12-/m0/s1 |
| Smiles | COC1=CC(=O)O[C@H](C1)/C=C/C2=CC=CC=C2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Piper Methysticum (Plant) Rel Props:Source_db:cmaup_ingredients