|
Structure
|
|
| Relationships |
Total Number of functionally related protein(s) :
18
Total Number of Articles : 13
|
| PubChem |
276389
|
| Molecular Formula |
C28H37NO9 |
| SMILES |
CC(C)(CC[C@@](CC(=O)OC)(C(=O)O[C@H]1[C@H]2C3=CC4=C(C=C3CCN5[C@@]2(CCC5)C=C1OC)OCO4)O)O |
| InChI |
InChI=1S/C28H37NO9/c1-26(2,32)8-9-28(33,15-22(30)35-4)25(31)38-24-21(34-3)14-27-7-5-10-29(27)11-6-17-12-19-20(37-16-36-19)13-18(17)23(24)27/h12-14,23-24,32-33H,5-11,15-16H2,1-4H3/t23-,24-,27+,28-/m1/s1 |
| synonyms |
- harringtonine
- Harringtonin
- 26833-85-2
- 2'R-Harringtonine
- NSC-124147
- CHEBI:5626
- NSC124147
- Alkaloid C from cephalotaxus
- 088662H40F
- NSC 124147
- harringtonine(8ci)
- 1-((1S,3aR,14bS)-2-methoxy-1,5,6,8,9,14b-hexahydro-4H-[1,3]dioxolo[4',5':4,5]benzo[1,2-d]cyclopenta[b]pyrrolo[1,2-a]azepin-1-yl) 4-methyl (R)-2-hydroxy-2-(3-hydroxy-3-methylbutyl)succinate
- Cephalotaxine, 4-methyl (2R)-2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate (ester)
- Cephalotaxine, 4-methyl 2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate (ester)
- UNII-088662H40F
- ZJ-H
- SCHEMBL138806
- HARRINGTONINE [WHO-DD]
- CHEMBL433257
- HAVJATCHLFRDHY-KSZYUSJVSA-N
- HY-N0862
- BDBM50480315
- s9063
- AKOS030526125
- CCG-269921
- CS-3909
- AS-56357
- NCI60_000568
- Q27106830
- Z2967326050
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|
| Properties |
| Property |
Value |
| MW |
531.6 g/mol |
| HBD |
2 |
| HBA |
10 |
| Rotatable Bond Count |
10 |
| Exact Mass |
531.24683176 g/mol |
| Monoisotopic Mass |
531.24683176 g/mol |
| Heavy Atom Count |
38 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
4 |
| Covalent Unit Count |
1 |
| Complexity |
953 |
| xlogp |
0.5 |
| Topological Polar Surface Area |
124 |
|