14-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dioxa-10-azapentacyclo[9.7.1.0²,⁶.0⁸,¹⁹.0¹³,¹⁸]nonadeca-1,6,8(19),11,13,15,17-heptaen-9-one
AlkaPlorer ID: AK061396
Synonym: None
IUPAC Name: 14-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one
Structure
SMILES: OC[C@H]1O[C@@H](OC2=CC=CC3=C2C=C2N=C(O)C4=CC5=C(OCO5)C3=C24)[C@H](O)[C@@H](O)[C@@H]1O
InChI: InChI=1S/C22H19NO9/c24-6-14-17(25)18(26)19(27)22(32-14)31-12-3-1-2-8-9(12)4-11-15-10(21(28)23-11)5-13-20(16(8)15)30-7-29-13/h1-5,14,17-19,22,24-27H,6-7H2,(H,23,28)/t14-,17-,18+,19-,22-/m1/s1
InChIKey: BMZVZDXTSLWMHR-MAEOEUOPSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aristolochia manshuriensis | Aristolochia | Aristolochiaceae | Piperales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 441.39200000000017
TPSA？: 150.43
MolLogP？: 0.8500999999999999
Number of H-Donors: 5
Number of H-Acceptors: 9
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Cyclin-dependent kinase 2 | IC50 | 10000.0 | nM | 10.1016/j.bmcl.2010.01.018 |