Romucosine B

AlkaPlorer ID: AK068212

Synonym: '(+)-Romucosine B'

IUPAC Name: methyl (6aS)-3-chloro-2-hydroxy-1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carboxylate

Structure

SMILES: COC(=O)N1CCC2=C3C(=C(OC)C(O)=C2Cl)C2=CC=CC=C2C[C@@H]31

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InChI: InChI=1S/C19H18ClNO4/c1-24-18-15-11-6-4-3-5-10(11)9-13-14(15)12(16(20)17(18)22)7-8-21(13)19(23)25-2/h3-6,13,22H,7-9H2,1-2H3/t13-/m0/s1

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InChIKey: FFSNCZHOAOMPLR-ZDUSSCGKSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Annona mucosa Annona Annonaceae Magnoliales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 359.8090000000001

TPSA: 59.0

MolLogP: 3.9429000000000025

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information