Molecule

None

AlkaPlorer ID: AK323272

Synonym: None

IUPAC Name: (1S,12S)-23-methyl-23-oxido-5,7,16,18-tetraoxa-23-azoniahexacyclo[10.10.1.02,10.04,8.013,21.015,19]tricosa-2,4(8),9,13,15(19),20-hexaene

Structure

SMILES: C[N+]1([O-])[C@H]2CC3=CC4=C(C=C3[C@@H]1CC1=CC3=C(C=C12)OCO3)OCO4

InChI: InChI=1S/C19H17NO5/c1-20(21)14-2-10-4-16-18(24-8-22-16)6-12(10)15(20)3-11-5-17-19(7-13(11)14)25-9-23-17/h4-7,14-15H,2-3,8-9H2,1H3/t14-,15-/m0/s1

InChIKey: VCOKKGOVVPZMFF-GJZGRUSLSA-N

Reference

Approach to the study of <i>C</i>‐glycosyl flavones acylated with aliphatic and aromatic acids from <i>Spergularia rubra</i> by high‐performance liquid chromatography‐photodiode array detection/electrospray ionization multi‐stage mass spectrometry

PubChem CID: 137657319

NPASS: NPC481550

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Cryptocarya laevigata	Cryptocarya	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 339.3470000000001

TPSA？: 59.98

MolLogP？: 2.983000000000001

Number of H-Donors: 0

Number of H-Acceptors: 5

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	A549	IC50	29260.0	nM	10.1021/acs.jnatprod.6b01153
Homo sapiens	KB	IC50	35500.0	nM	10.1021/acs.jnatprod.6b01153
Homo sapiens	MCF7	IC50	40000.0	nM	10.1021/acs.jnatprod.6b01153
Homo sapiens	MDA-MB-231	IC50	41010.0	nM	10.1021/acs.jnatprod.6b01153
None	Unchecked	IC50	40000.0	nM	10.1021/acs.jnatprod.6b01153