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Compound Summary

General Compound Information

Brucine

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Description

Brucine is a monoterpenoid indole alkaloid and an organic heteroheptacyclic compound.

Synonyms

BRUCINE; 357-57-3; 10,11-Dimethoxystrychnine; Brucinum; 2,3-Dimethoxystrychnine;

(-)-Brucine;l-Brucine;2,3-Dimethoxystrychnidin-10-one;Strychnidin-10-one, 2,3-dimethoxy-;10,11-Dimethystrychnine;Brucine, Anhydrous;Brucina;Brucin;6NG17YCK6H;Brucine alkaloid;CHEBI:3193;DTXSID2024662;Dimethoxy strychnine;Brucine hydrate;NSC-757797;Bruzin;2,3-Dimethoxy-strychnine;RCRA waste number P018;Strychnine, 2,3-dimethoxy-;DTXCID204662;Brucin [German];Brucina [Italian];CAS-357-57-3;SMR000112281;63428-84-2;145428-94-0;UNII-6NG17YCK6H;10,11-dimethoxy strychnine;CCRIS 4754;HSDB 307;anhydrous brucine;Bisdesmethylbrucin;UN 1570;NCGC00094861-01;(4aR,5aS,8aR,13aS,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-14-one;EINECS 206-614-7;UN1570;BRUCINE [VANDF];BRUCINUM [HPUS];BRUCINE [HSDB];BRUCINE [MI];5892-11-5;RCRA waste no. P018;Brucine, anhydrous, 98%;BRUCINE [NFLIS-DRUG];GTPL342;MLS000515808;MLS001424166;SCHEMBL113229;CHEMBL501756;MEGxp0_001865;ACon1_001990;Brucine [UN1570] [Poison];HMS2052O03;HMS2268L16;ZINC1069090;Tox21_111349;Tox21_302174;BDBM50401037;AKOS015955678;AKOS024282466;CCG-101078;NC00328;NSC 757797;NCGC00255253-01;NCGC00263445-02;NCGC00384497-01;B0670;B0946;C09084;Q411022;SR-01000712407;Q-100426;SR-01000712407-5;BRD-K68077509-001-01-6;Brucine, European Pharmacopoeia (EP) Reference Standard;(1R,11S,18S,20R,21R,22S)-4,5-dimethoxy-12-oxa-8,17-diazaheptacyclo[15.5.2.0^{1,18}.0^{2,7}.0^{8,22}.0^{11,21}.0^{15,20}]tetracosa-2(7),3,5,14-tetraen-9-one;

FlavorDB ID

59

PUBCHEM ID

442021

Molecular Weight

394.5

Molecular Formula

C23H26N2O4

Openeye Can Smiles

COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5)OC

IUPAC Inchikey

RRKTZKIUPZVBMF-IBTVXLQLSA-N

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Compound Classification

Classification (Parent Nodes)

ClassyFire Ontology

Compound Quality

Quality information of this compound is not available!

Compound Toxicity and Food Additive Safety (OFAS)

Toxicity Summary
Link to the Distributed Structure-Searchable Toxicity (DSSTox) Database

Receptors

Receptor	REFERENCE	EC50 [µM]	Effective Concentration [µM]
TAS2R8	details	Activated	Activated
TAS2R10	details	Activated	Activated
TAS2R30	details	55.55	Activated
TAS2R39	details	Activated	Activated
TAS2R46	details	Activated	10.00

Consensus Spectra

Spectrum Type	Spectrum View	Description	Polarity
Experimental GCMS	view	GCMS	positive
Experimental LCMS	view	LCMS_Positive	positive