Goniothalamin
PubChem CID: 6440856
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| Compound Synonyms | Goniothalamin, 17303-67-2, Goniothalamine, (R)-(+)-Goniothalamin, (R)-goniothalamin, (6R)-(+)-Goniothalamin, CCRIS 9005, UNII-34W9GO6B2Z, 34W9GO6B2Z, (2R)-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one, 22639-28-7, 2H-Pyran-2-one, 5,6-dihydro-6-styryl-, (5S)-(+)-, 2H-Pyran-2-one, 5,6-dihydro-6-(2-phenylethenyl)-, (S-(E))-, (6R)-6.ALPHA.-((E)-STYRYL)-5,6-DIHYDRO-2H-PYRAN-2-ONE, STYRYLDIHYDROPYRAN, (2R)-2-((E)-2-phenylethenyl)-2,3-dihydropyran-6-one, NSC104956, CHEMBL464443, SCHEMBL12444498, DTXSID801035678, HY-N3968, AKOS032948430, FS-9350, NSC-104956, DA-59590, CS-0024535, G77016, (2R)-2-[(E)-styryl]-2,3-dihydropyran-6-one, Q27256393, (6R)-6-[(1E)-2-phenylethenyl]-5,6-dihydro-2H-pyran-2-one, (6R)-6ALPHA-((E)-STYRYL)-5,6-DIHYDRO-2H-PYRAN-2-ONE, 2H-Pyran-2-one, 5,6-dihydro-6-[(E)-2-phenylethenyl]-, (6R)-, 2H-Pyran-2-one, 5,6-dihydro-6-(2-phenylethenyl)-, (S-(E))-(9CI) |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 272.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | n.a., Q04206, O14980 |
| Iupac Name | (2R)-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C13H12O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RLGHFVLWYYVMQZ-BZYZDCJZSA-N |
| Fcsp3 | 0.1538461538461538 |
| Logs | -3.247 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.137 |
| Compound Name | Goniothalamin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 200.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 200.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 200.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.0409693999999994 |
| Inchi | InChI=1S/C13H12O2/c14-13-8-4-7-12(15-13)10-9-11-5-2-1-3-6-11/h1-6,8-10,12H,7H2/b10-9+/t12-/m1/s1 |
| Smiles | C1C=CC(=O)O[C@H]1/C=C/C2=CC=CC=C2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Vilmorini (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Anagallis Monelli (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Athyrium Filix-Femina (Plant) Rel Props:Source_db:npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Eliokarmos Thyrsoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Goniothalamus Leiocarpus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Gymnacranthera Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Hura Crepitans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Illicium Jiadifengpi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Lindera Triloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Mortonia Palmeri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Ophiorrhiza Pumila (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Plumeria Obtusa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Saussurea Costus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Sida Acuta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all