Cassythic Acid
AlkaPlorer ID: AK062623
Synonym: None
IUPAC Name: (12S)-7,17-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14(19),15,17-hexaene-18-carboxylic acid
Structure
SMILES: COC1=CC=C2C[C@@H]3NCCC4=C(OC)C5=C(OCO5)C(=C43)C2=C1C(=O)O
InChI: InChI=1S/C20H19NO6/c1-24-12-4-3-9-7-11-14-10(5-6-21-11)17(25-2)19-18(26-8-27-19)16(14)13(9)15(12)20(22)23/h3-4,11,21H,5-8H2,1-2H3,(H,22,23)/t11-/m0/s1
InChIKey: NUPZSCVEOLWYJE-NSHDSACASA-N
Reference
Vasorelaxing Alkaloids and Flavonoids from<i>Cassytha filiformis</i>
PubChem CID: 24799690
LOTUS: LTS0071740
SuperNatural Ⅲ: SN0255697-01
NPASS: NPC46990
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cassytha filiformis | Cassytha | Lauraceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 369.37300000000016
TPSA？: 86.25000000000001
MolLogP？: 2.5406000000000004
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Aorta | IC50 | 2480.0 | nM | 10.1021/np070564h |