Ephemeranthoquinone
PubChem CID: 10038025
Connections displayed (default: 10).
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| Compound Synonyms | ephemeranthoquinone, CHEMBL472431, 7-hydroxy-2-methoxy-9,10-dihydrophenanthrene-1,4-dione, 135545-85-6 |
|---|---|
| Topological Polar Surface Area | 63.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 500.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-2-methoxy-9,10-dihydrophenanthrene-1,4-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C15H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SBMILRCXQPFDME-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -3.724 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.044 |
| Compound Name | Ephemeranthoquinone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 256.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 256.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 256.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7304776105263158 |
| Inchi | InChI=1S/C15H12O4/c1-19-13-7-12(17)14-10-5-3-9(16)6-8(10)2-4-11(14)15(13)18/h3,5-7,16H,2,4H2,1H3 |
| Smiles | COC1=CC(=O)C2=C(C1=O)CCC3=C2C=CC(=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cyperus Alopecuroides (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Cyperus Amabilis (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Cyperus Articulates (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Cyperus Articulatus (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Cyperus Bulbasus (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Cyperus Bulbosus (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Cyperus Capitatus (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Cyperus Corymbosus (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Cyperus Difformis (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Cyperus Distans (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Cyperus Esculentus (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Cyperus Exaltatus (Plant) Rel Props:Reference: - 13. Outgoing r'ship
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FOUND_INto/from Cyperus Iria (Plant) Rel Props:Reference: - 15. Outgoing r'ship
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FOUND_INto/from Cyperus Nipponicus (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Cyperus Opecuroides (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Cyperus Pangorei (Plant) Rel Props:Reference: - 22. Outgoing r'ship
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FOUND_INto/from Cyperus Pilosus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 26. Outgoing r'ship
FOUND_INto/from Cyperus Platyphyllus (Plant) Rel Props:Reference: - 27. Outgoing r'ship
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FOUND_INto/from Cyperus Stoloniferus (Plant) Rel Props:Reference: - 31. Outgoing r'ship
FOUND_INto/from Gomphocarpus Physocarpus (Plant) Rel Props:Reference: - 32. Outgoing r'ship
FOUND_INto/from Lebeckia Plukenetiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 33. Outgoing r'ship
FOUND_INto/from Lupinus Pilosus (Plant) Rel Props:Reference: - 34. Outgoing r'ship
FOUND_INto/from Nidema Boothii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 35. Outgoing r'ship
FOUND_INto/from Ophiopogon Intermedius (Plant) Rel Props:Reference: - 36. Outgoing r'ship
FOUND_INto/from Physocarpus Intermedius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 37. Outgoing r'ship
FOUND_INto/from Physocarpus Opulifolius (Plant) Rel Props:Reference: - 38. Outgoing r'ship
FOUND_INto/from Saraca Asoca (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 39. Outgoing r'ship
FOUND_INto/from Saraca Indica (Plant) Rel Props:Reference: - 40. Outgoing r'ship
FOUND_INto/from Securidaca Inappendiculata (Plant) Rel Props:Reference: - 41. Outgoing r'ship
FOUND_INto/from Securigera Securidaca (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 42. Outgoing r'ship
FOUND_INto/from Thelypteris Confluens (Plant) Rel Props:Reference: