Molecule

Isoboldine; (S)-form, N-De-Me

AlkaPlorer ID: AK302763

Synonym: 1,9-Dihydroxy-2,10-dimethoxynoraporphine, Laurelliptine, Norisoboldine

IUPAC Name: 2,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,9-diol

SMILES: COC1=CC2=C(C=C1O)CC1NCCC3=CC(OC)=C(O)C2=C31

InChI: InChI=1S/C18H19NO4/c1-22-14-8-11-10(6-13(14)20)5-12-16-9(3-4-19-12)7-15(23-2)18(21)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3

InChIKey: HORZNQYQXBFWNZ-UHFFFAOYSA-N

PubChem CID: 14539910

CAS: 23599-60-1

LOTUS: LTS0119231

COCONUT: CNP0235875.2

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Monanthotaxis cauliflora	Monanthotaxis	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Monodora tenuifolia	Monodora	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Litsea	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Beilschmiedia	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Beilschmiedia elliptica	Beilschmiedia	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	None	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cassytha pubescens	Cassytha	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Nectandra	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Litsea	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 313.35300000000007

TPSA？: 70.95

MolLogP？: 2.524900000000001

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 4

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Mus musculus	RAW264.7	IC50	10000.0	nM	10.1016/j.bmcl.2017.04.072