ancistectorine A1
AlkaPlorer ID: AK115210
Synonym: None
IUPAC Name: (1S,3S)-5-(4-hydroxy-5-methoxy-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(O)C3=C2C=CC=C3OC)C2=C1[C@H](C)N[C@@H](C)C2
InChI: InChI=1S/C24H27NO4/c1-12-9-17(26)23-15(7-6-8-19(23)28-4)21(12)24-16-10-13(2)25-14(3)22(16)20(29-5)11-18(24)27/h6-9,11,13-14,25-27H,10H2,1-5H3/t13-,14-/m0/s1
InChIKey: YISKNJMMKQJMSA-KBPBESRZSA-N
Reference
Isoquinoline alkaloids from Ancistrocladus tectorius
PubChem CID: 15767943
LOTUS: LTS0152222
SuperNatural Ⅲ: SN0451542-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ancistrocladus tectorius | Ancistrocladus | Ancistrocladaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 393.4830000000002
TPSA？: 70.95
MolLogP？: 4.838820000000005
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|