Cassythine
AlkaPlorer ID: AK018359
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),14,16,18-hexaen-16-ol
Structure
SMILES: COC1=CC2=C(C=C1O)C[C@@H]1NCCC3=C(OC)C4=C(OCO4)C2=C31
InChI: InChI=1S/C19H19NO5/c1-22-14-7-11-9(6-13(14)21)5-12-15-10(3-4-20-12)17(23-2)19-18(16(11)15)24-8-25-19/h6-7,12,20-21H,3-5,8H2,1-2H3/t12-/m0/s1
InChIKey: FZXIOJQNDYKPCE-LBPRGKRZSA-N
Reference
Cytotoxic Aporphine Alkaloids from<i>Cassytha filiformis</i>
PubChem CID: 442190
CAS: 4030-51-7
LOTUS: LTS0236351
SuperNatural Ⅲ: SN0100034-02
NPASS: NPC186546
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cassytha filiformis | Cassytha | Lauraceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 341.3630000000001
TPSA？: 69.18
MolLogP？: 2.548
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 | 90.0 | nM | 10.1021/np070564h |