Howiinol A
PubChem CID: 6440329
Connections displayed (default: 10).
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| Compound Synonyms | Howiinol A, 190848-69-2, [(1R,2R)-2-hydroxy-2-[(2R,3S)-3-hydroxy-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethyl] (E)-3-phenylprop-2-enoate, GHM-10 cpd, CHEMBL1170578, D-xylo-Hept-2-enonic acid, 2,3-dideoxy-7-C-phenyl-, delta-lactone, 7-((2E)-3-phenyl-2-propenoate), (7R)- |
|---|---|
| Topological Polar Surface Area | 93.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 586.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | [(1R,2R)-2-hydroxy-2-[(2R,3S)-3-hydroxy-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethyl] (E)-3-phenylprop-2-enoate |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C22H20O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HCJURVKKVSCZRL-VTWBULIDSA-N |
| Fcsp3 | 0.1818181818181818 |
| Logs | -4.294 |
| Rotatable Bond Count | 7.0 |
| Logd | 1.644 |
| Compound Name | Howiinol A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 380.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 380.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 380.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.9876980571428575 |
| Inchi | InChI=1S/C22H20O6/c23-17-12-14-19(25)28-22(17)20(26)21(16-9-5-2-6-10-16)27-18(24)13-11-15-7-3-1-4-8-15/h1-14,17,20-23,26H/b13-11+/t17-,20+,21+,22+/m0/s1 |
| Smiles | C1=CC=C(C=C1)/C=C/C(=O)O[C@H](C2=CC=CC=C2)[C@H]([C@H]3[C@H](C=CC(=O)O3)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eleocharis Dulcis (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Garcinia Dulcis (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Goniothalamus Amuyon (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Goniothalamus Arvensis (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Goniothalamus Borneensis (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Goniothalamus Cheliensis (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Goniothalamus Dolichocarpus (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Goniothalamus Gardneri (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Goniothalamus Giganteus (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Goniothalamus Griffithii (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Goniothalamus Howii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Goniothalamus Leiocarpus (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Goniothalamus Macranthus (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Goniothalamus Malayanus (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Goniothalamus Sesquipedalis (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Goniothalamus Thwaitesii (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Goniothalamus Undulatus (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Goniothalamus Waynaadensis (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Goniothalamus Wightii (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Hovenia Acerba (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Hovenia Dulcis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 22. Outgoing r'ship
FOUND_INto/from Lippia Dulcis (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Prunus Dulcis (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Scoparia Dulcis (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Spondias Dulcis (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Trigonostemon Howii (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Uvaria Dulcis (Plant) Rel Props:Reference: