Chrotacumine C
AlkaPlorer ID: AK084162
Synonym: None
IUPAC Name: [(3S,4R)-4-(5,7-dihydroxy-2-methyl-4-oxochromen-8-yl)-1-methylpiperidin-3-yl] 3,4,5-trimethoxybenzoate
Structure
SMILES: COC1=CC(C(=O)O[C@@H]2CN(C)CC[C@@H]2C2=C(O)C=C(O)C3=C2OC(C)=CC3=O)=CC(OC)=C1OC
InChI: InChI=1S/C26H29NO9/c1-13-8-16(28)23-18(30)11-17(29)22(25(23)35-13)15-6-7-27(2)12-21(15)36-26(31)14-9-19(32-3)24(34-5)20(10-14)33-4/h8-11,15,21,29-30H,6-7,12H2,1-5H3/t15-,21+/m0/s1
InChIKey: HVKVOCXJBCFWGR-YCRPNKLZSA-N
Reference
Chrotacumines A−D, Chromone Alkaloids from <i>Dysoxylum acutangulum</i>
PubChem CID: 44557091
LOTUS: LTS0231293
SuperNatural Ⅲ: SN0136588-01
NPASS: NPC204580
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dysoxylum acutangulum | Dysoxylum | Meliaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 499.5160000000003
TPSA？: 127.9
MolLogP？: 3.183120000000001
Number of H-Donors: 2
Number of H-Acceptors: 10
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 |