Cancentrine
AlkaPlorer ID: AK036859
Synonym: '', 'Cancentrine'
IUPAC Name: (1'R,2'S,3R,5'S,13'S)-14-hydroxy-8',10,15-trimethoxy-14'-methylspiro[12-oxa-4-azapentacyclo[9.7.2.04,19.07,20.013,18]icosa-1(19),7(20),8,10,13(18),14,16-heptaene-3,4'-6-oxa-14-azapentacyclo[9.5.1.01,5.02,13.07,17]heptadeca-7,9,11(17)-triene]-2-one
Structure
SMILES: COC1=CC=C2C3=C4C5=C(OC2=C1O)C(OC)=CC=C5CCN4[C@@]1(C[C@@H]2[C@@H]4CC5=CC=C(OC)C6=C5[C@]2(CCN4C)[C@@H]1O6)C3=O
InChI: InChI=1S/C36H34N2O7/c1-37-14-12-35-20-16-36(34(35)45-32-24(43-4)9-6-18(27(32)35)15-21(20)37)33(40)26-19-7-10-22(41-2)29(39)30(19)44-31-23(42-3)8-5-17-11-13-38(36)28(26)25(17)31/h5-10,20-21,34,39H,11-16H2,1-4H3/t20-,21+,34+,35-,36+/m1/s1
InChIKey: XWPPHGONALRWBY-SMUAMFJKSA-N
Reference
Cularine, Cancentrine, and Quettamine Alkaloids
PubChem CID: 5462434
CAS: 29477-90-5
LOTUS: LTS0065229
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dicentra canadensis | Dicentra | Papaveraceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 606.6750000000003
TPSA？: 89.93
MolLogP？: 4.550700000000004
Number of H-Donors: 1
Number of H-Acceptors: 9
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|