Cassythidine
AlkaPlorer ID: AK062637
Synonym: ''
IUPAC Name: (12S)-17-methoxy-5,7,19,21-tetraoxa-13-azahexacyclo[10.10.1.02,10.04,8.016,23.018,22]tricosa-1(22),2,4(8),9,16(23),17-hexaene
Structure
SMILES: COC1=C2CCN[C@H]3CC4=CC5=C(C=C4C(=C23)C2=C1OCO2)OCO5
InChI: InChI=1S/C19H17NO5/c1-21-17-10-2-3-20-12-4-9-5-13-14(23-7-22-13)6-11(9)16(15(10)12)18-19(17)25-8-24-18/h5-6,12,20H,2-4,7-8H2,1H3/t12-/m0/s1
InChIKey: BLQMKAOCFLGRCD-LBPRGKRZSA-N
Reference
Vasorelaxing Alkaloids and Flavonoids from<i>Cassytha filiformis</i>
PubChem CID: 154496321
LOTUS: LTS0260719
SuperNatural Ⅲ: SN0028930-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cassytha filiformis | Cassytha | Lauraceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 339.3470000000001
TPSA？: 58.18000000000001
MolLogP？: 2.562500000000001
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|