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Structure
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|
| Relationships |
Total Number of functionally related protein(s) :
13
Total Number of Articles : 7
|
| PubChem |
13422573
|
| Molecular Formula |
C16H19NO5 |
| SMILES |
CC1=CC(=O)C2=C(O1)C(=C(C=C2O)O)[C@H]3CCN(C[C@H]3O)C |
| InChI |
InChI=1S/C16H19NO5/c1-8-5-10(18)15-12(20)6-11(19)14(16(15)22-8)9-3-4-17(2)7-13(9)21/h5-6,9,13,19-21H,3-4,7H2,1-2H3/t9-,13+/m0/s1 |
| synonyms |
- Rohitukine
- 71294-60-5
- 5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-2-methylchromen-4-one
- 5,7-Dihydroxy-8-[(3R,4S)-3-hydroxy-1-methylpiperidin-4-yl]-2-methylchromen-4-one
- 5,7-Dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-2-methyl-4H-1-benzopyran-4-one
- NSC623611
- 5,7-Dihydroxy-8-((3S,4R)-3-hydroxy-1-methylpiperidin-4-yl)-2-methyl-4H-chromen-4-one
- 5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-2-methyl-4H-chromen-4-one
- CHEMBL1077604
- SCHEMBL23718142
- DTXSID70540347
- CHEBI:156498
- MOCVYVBNJQIVOV-TVQRCGJNSA-N
- BDBM50189885
- AKOS040749359
- 5,7-dihydroxy-2-methyl-8-(4-(3-hydroxy-1-methyl)-piperidinyl)-4H-1-benzopyran-4-one
- 5,7-Dihydroxy-8-[(3R,4S)-3-hydroxy-1-methyl-4-piperidinyl)-2-methyl-4H-chromen-4-one
- 5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methyl-4-piperidyl]-2-methyl-chromen-4-one
Click to show/hide the synonyms
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| Properties |
| Property |
Value |
| MW |
305.32 g/mol |
| HBD |
3 |
| HBA |
6 |
| Rotatable Bond Count |
1 |
| Exact Mass |
305.12632271 g/mol |
| Monoisotopic Mass |
305.12632271 g/mol |
| Heavy Atom Count |
22 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
2 |
| Covalent Unit Count |
1 |
| Complexity |
479 |
| xlogp |
1.4 |
| Topological Polar Surface Area |
90.2 |
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