Chrotacumine A
AlkaPlorer ID: AK125061
Synonym: None
IUPAC Name: [(1S,13S,16S)-9-hydroxy-5,14-dimethyl-7-oxo-4,12-dioxa-14-azatetracyclo[11.3.1.02,11.03,8]heptadeca-2(11),3(8),5,9-tetraen-16-yl] benzoate
Structure
SMILES: CC1=CC(=O)C2=C(O1)C1=C(C=C2O)O[C@H]2C[C@@H]1[C@H](OC(=O)C1=CC=CC=C1)CN2C
InChI: InChI=1S/C23H21NO6/c1-12-8-15(25)21-16(26)10-17-20(22(21)28-12)14-9-19(29-17)24(2)11-18(14)30-23(27)13-6-4-3-5-7-13/h3-8,10,14,18-19,26H,9,11H2,1-2H3/t14-,18-,19+/m1/s1
InChIKey: PJWARXSHHFSDKD-ZMYBRWDISA-N
Reference
Chrotacumines A−D, Chromone Alkaloids from <i>Dysoxylum acutangulum</i>
PubChem CID: 46882760
LOTUS: LTS0156456
NPASS: NPC469437
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dysoxylum acutangulum | Dysoxylum | Meliaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 407.4220000000002
TPSA？: 89.21
MolLogP？: 3.1702200000000014
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HL-60 | IC50 | 10000.0 | nM | 10.1021/np9003849 |