Icaritin
PubChem CID: 5318980
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| Compound Synonyms | Icaritin, 118525-40-9, 3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one, UNII-UFE666UELY, UFE666UELY, SGN162, SGN-162, ICARITIN [WHO-DD], 3,5,7-Trihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one, CHEMBL498485, DTXSID00152154, 4H-1-benzopyran-4-one, 3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-, 3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4H-chromen-4-one, Icartin, Icaritin (Standard), MFCD22422519, Icaritin(Anhydroicaritin)?, MLS006010055, BIDD:ER0021, SCHEMBL4223542, Icaritin, >=98% (HPLC), DTXCID4074645, HY-N0678R, CHEBI:201674, TUUXBSASAQJECY-UHFFFAOYSA-N, BCP32968, HY-N0678, BDBM50272527, s9080, AKOS015896858, CCG-268265, CS-3679, DB12672, FI24531, NCGC00345813-01, NCGC00345813-04, AC-33950, AS-55987, DA-74392, SMR004701218, I0974, NS00014982, BRD-K24476327-001-01-3, Q27291061, 4'-methoxy-3,5,7trihydroxy-8-3,3-dimethylallylflavone, 3-hydroxy-7-o-beta-glucose-8-prenyl-4''-methoxy Chrysin, 3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-4h-chromen-4-one, 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)- |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 612.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O76074, P08183, n.a., O75874, O60341, P0DTD1 |
| Iupac Name | 3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Target Id | NPT273 |
| Xlogp | 4.8 |
| Molecular Formula | C21H20O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | TUUXBSASAQJECY-UHFFFAOYSA-N |
| Fcsp3 | 0.1904761904761904 |
| Logs | -3.315 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.964 |
| Compound Name | Icaritin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 368.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 368.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 368.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.938205518518519 |
| Inchi | InChI=1S/C21H20O6/c1-11(2)4-9-14-15(22)10-16(23)17-18(24)19(25)20(27-21(14)17)12-5-7-13(26-3)8-6-12/h4-8,10,22-23,25H,9H2,1-3H3 |
| Smiles | CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC=C(C=C3)OC)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
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FOUND_INto/from Abroma Radix (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Abutilon Grandiflorum (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Acacia Pubescens (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Acer Acuminatum (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Aconitum Koreanum (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Aeollanthus Pubescens (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Angelica Pubescens (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Astragalus Sempervirens (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Atista Radix (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Betula Pubescens (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Buddleja Davidii (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Buxus Sempervirens (Plant) Rel Props:Reference: - 13. Outgoing r'ship
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FOUND_INto/from Cardiospermum Grandiflorum (Plant) Rel Props:Reference: - 16. Outgoing r'ship
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FOUND_INto/from Epimedium Acuminatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 27. Outgoing r'ship
FOUND_INto/from Epimedium Brevicornu (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 28. Outgoing r'ship
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FOUND_INto/from Epimedium Davidii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 30. Outgoing r'ship
FOUND_INto/from Epimedium Grandiflorum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 31. Outgoing r'ship
FOUND_INto/from Epimedium Koreanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 32. Outgoing r'ship
FOUND_INto/from Epimedium Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 33. Outgoing r'ship
FOUND_INto/from Epimedium Sagittatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 34. Outgoing r'ship
FOUND_INto/from Epimedium Sempervirens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 35. Outgoing r'ship
FOUND_INto/from Epimedium Wanshanense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 36. Outgoing r'ship
FOUND_INto/from Epimedium Wushanense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 37. Outgoing r'ship
FOUND_INto/from Euphorbia Pubescens (Plant) Rel Props:Reference: - 38. Outgoing r'ship
FOUND_INto/from Gelsemium Sempervirens (Plant) Rel Props:Reference: - 39. Outgoing r'ship
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FOUND_INto/from Holarrhena Pubescens (Plant) Rel Props:Reference: - 42. Outgoing r'ship
FOUND_INto/from Iberis Sempervirens (Plant) Rel Props:Reference: - 43. Outgoing r'ship
FOUND_INto/from Ilex Pubescens (Plant) Rel Props:Reference: - 44. Outgoing r'ship
FOUND_INto/from Jasminum Grandiflorum (Plant) Rel Props:Reference: - 45. Outgoing r'ship
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FOUND_INto/from Swertia Pubescens (Plant) Rel Props:Reference: - 66. Outgoing r'ship
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