Communin A
PubChem CID: 44233686
Connections displayed (default: 10).
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| Compound Synonyms | COMMUNIN A, (2S)-7-hydroxy-2-phenyl-5-((Z)-2-phenylethenyl)-2,3-dihydrochromen-4-one, (2S)-7-hydroxy-2-phenyl-5-[(Z)-2-phenylethenyl]-2,3-dihydrochromen-4-one, CHEMBL554121, 1173170-55-2 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 502.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | n.a. |
| Iupac Name | (2S)-7-hydroxy-2-phenyl-5-[(Z)-2-phenylethenyl]-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.8 |
| Molecular Formula | C23H18O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZPNXTAJKEFNJMW-GMGKOPGTSA-N |
| Fcsp3 | 0.0869565217391304 |
| Logs | -5.611 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.956 |
| Compound Name | Communin A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 342.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 342.126 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 342.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.313750492307692 |
| Inchi | InChI=1S/C23H18O3/c24-19-13-18(12-11-16-7-3-1-4-8-16)23-20(25)15-21(26-22(23)14-19)17-9-5-2-6-10-17/h1-14,21,24H,15H2/b12-11-/t21-/m0/s1 |
| Smiles | C1[C@H](OC2=CC(=CC(=C2C1=O)/C=C\C3=CC=CC=C3)O)C4=CC=CC=C4 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Adesmia Boronioides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Amberboa Muricata (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Annona Muricata (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Banisteriopsis Muricata (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Bassia Muricata (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Canarium Commune (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Croton Argyratus (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Croton Balsamifer (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Croton Bonplandianum (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Croton Bonplandianus (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Croton Cajucara (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Croton Californicus (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Croton Campestris (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Croton Cascarilloides (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Croton Caudatus (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Croton Celtidifolius (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Croton Cumingii (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Croton Discolor (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Croton Draconoide (Plant) Rel Props:Reference: - 20. Outgoing r'ship
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FOUND_INto/from Oxytropis Macrophylla (Plant) Rel Props:Reference: - 62. Outgoing r'ship
FOUND_INto/from Oxytropis Muricata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 63. Outgoing r'ship
FOUND_INto/from Oxytropis Myriophylla (Plant) Rel Props:Reference: - 64. Outgoing r'ship
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FOUND_INto/from Polytrichum Commune (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 67. Outgoing r'ship
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