Molecule

Ancistrocladine; 1-Epimer

AlkaPlorer ID: AK287888

Synonym: Isoancistrocladine, 1-Epiancistrocladine

IUPAC Name: 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=C1C(C)NC(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

InChIKey: XUFOYASAFNKRRE-UHFFFAOYSA-N

Reference

ancistrobrevine B, the first naphthylisoquinoline alkaloid with A 5,8′-coupling site, and related compounds from Ancistrocladus abbreviatus

PubChem CID: 4332940

CAS: 36209-88-8

LOTUS: LTS0260019

NPASS: NPC32843

COCONUT: CNP0289997.4

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Ancistrocladus korupensis	Ancistrocladus	Ancistrocladaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ancistrocladus heyneanus	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