Chrotacumine B
AlkaPlorer ID: AK088590
Synonym: None
IUPAC Name: [(3S,4R)-4-(5,7-dihydroxy-2-methyl-4-oxochromen-8-yl)-1-methylpiperidin-3-yl] (E)-2-methylbut-2-enoate
Structure
SMILES: C/C=C(\C)C(=O)O[C@@H]1CN(C)CC[C@@H]1C1=C(O)C=C(O)C2=C1OC(C)=CC2=O
InChI: InChI=1S/C21H25NO6/c1-5-11(2)21(26)28-17-10-22(4)7-6-13(17)18-15(24)9-16(25)19-14(23)8-12(3)27-20(18)19/h5,8-9,13,17,24-25H,6-7,10H2,1-4H3/b11-5+/t13-,17+/m0/s1
InChIKey: DSBBHVSUDLJUOE-ZKYNRCFLSA-N
Reference
Chrotacumines A−D, Chromone Alkaloids from <i>Dysoxylum acutangulum</i>
PubChem CID: 44557028
LOTUS: LTS0229942
NPASS: NPC309692
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dysoxylum acutangulum | Dysoxylum | Meliaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 387.4320000000001
TPSA？: 100.21
MolLogP？: 2.8097200000000013
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HL-60 | IC50 | 10000.0 | nM | 10.1021/np9003849 |