Chrotacumine D
AlkaPlorer ID: AK068364
Synonym: None
IUPAC Name: [(3S,4R)-4-(5,7-dihydroxy-2-methyl-4-oxochromen-8-yl)-1-methylpiperidin-3-yl] 3,4-dimethoxybenzoate
Structure
SMILES: COC1=CC=C(C(=O)O[C@@H]2CN(C)CC[C@@H]2C2=C3OC(C)=CC(=O)C3=C(O)C=C2O)C=C1OC
InChI: InChI=1S/C25H27NO8/c1-13-9-16(27)23-18(29)11-17(28)22(24(23)33-13)15-7-8-26(2)12-21(15)34-25(30)14-5-6-19(31-3)20(10-14)32-4/h5-6,9-11,15,21,28-29H,7-8,12H2,1-4H3/t15-,21+/m0/s1
InChIKey: RIKKYJZEZQRRQP-YCRPNKLZSA-N
Reference
Chrotacumines A−D, Chromone Alkaloids from <i>Dysoxylum acutangulum</i>
PubChem CID: 44557092
LOTUS: LTS0216642
SuperNatural Ⅲ: SN0326237-01
NPASS: NPC83019
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dysoxylum acutangulum | Dysoxylum | Meliaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 469.4900000000002
TPSA？: 118.67000000000002
MolLogP？: 3.174520000000002
Number of H-Donors: 2
Number of H-Acceptors: 9
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HL-60 | IC50 | 10000.0 | nM | 10.1021/np9003849 |