Ancistrocladine
AlkaPlorer ID: AK003226
Synonym: '', 'GEN25_39.1', '(+)-Hamatine', 'Ancistrocladine', 'Hamatine', 'Isoancistrocladine', 'ConMedNP.334', 'ConMedNP.335', '(-)-Ancistrocladine', 'GEN25_40.1'
IUPAC Name: (1S,3R)-5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
Structure
SMILES: COC1=CC(O)=C(C2=C(C)C=C(OC)C3=C(OC)C=CC=C23)C2=C1[C@H](C)N[C@H](C)C2
InChI: InChI=1S/C25H29NO4/c1-13-10-20(29-5)25-16(8-7-9-19(25)28-4)22(13)24-17-11-14(2)26-15(3)23(17)21(30-6)12-18(24)27/h7-10,12,14-15,26-27H,11H2,1-6H3/t14-,15+/m1/s1
InChIKey: XUFOYASAFNKRRE-CABCVRRESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ancistrocladus abbreviatus | Ancistrocladus | Ancistrocladaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 407.5100000000001
TPSA？: 59.95
MolLogP？: 5.1418200000000045
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HT-29 | IC50 | None | None | 10.1021/acs.jnatprod.9b00589 |