|
Structure
|
|
| Relationships |
Total Number of functionally related protein(s) :
228
Total Number of Articles : 119
|
| PubChem |
5318980
|
| Molecular Formula |
C21H20O6 |
| SMILES |
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC=C(C=C3)OC)O)C |
| 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 |
| synonyms |
- Icaritin
- 118525-40-9
- 3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
- UFE666UELY
- CHEMBL498485
- SGN162
- SGN-162
- 3,5,7-Trihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one
- 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
- UNII-UFE666UELY
- Icartin
- Icaritin(Anhydroicaritin)?
- ICARITIN [WHO-DD]
- MLS006010055
- BIDD:ER0021
- SCHEMBL4223542
- Icaritin, >=98% (HPLC)
- DTXSID00152154
- CHEBI:201674
- TUUXBSASAQJECY-UHFFFAOYSA-N
- BCP32968
- HY-N0678
- BDBM50272527
- MFCD22422519
- s9080
- AKOS015896858
- CCG-268265
- CS-3679
- DB12672
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| Properties |
| Property |
Value |
| MW |
368.4 g/mol |
| HBD |
3 |
| HBA |
6 |
| Rotatable Bond Count |
4 |
| Exact Mass |
368.12598835 g/mol |
| Monoisotopic Mass |
368.12598835 g/mol |
| Heavy Atom Count |
27 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
612 |
| xlogp |
4.8 |
| Topological Polar Surface Area |
96.2 |
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