Lapachol

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Systematic / IUPAC Name: 2-Hydroxy-3-(3-methyl-2-buten-1-yl)-1,4-naphthoquinone

ID: Reference3422

Other Names: Bethabarra wood;
C I Natural yellow 16;
Greenharten;
Greenhartin;
Ipe-tobacco wood ; more

Formula: C15H14O3

Class: Endogenous Metabolites Natural Products/Medicines

Spectral Data

Lapachol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 2421
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers IT; FT
Last Modification 11/25/2015 2:31:21 PM
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Identificators

InChI InChI=1S/C15H14O3/c1-9(2)7-8-12-13(16)10-5-3-4-6-11(10)14(17)15(12)18/h3-7,18H,8H2,1-2H3
InChI Key CIEYTVIYYGTCCI-UHFFFAOYSA-N
Canonical SMILES CC(=CCC1=C(C(=O)c2ccccc2C1=O)O)C
CAS 84797
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Other Names Bethabarra wood;
C I Natural yellow 16;
Greenharten;
Greenhartin;
Ipe-tobacco wood;
Lapachic acid;
Lapachol wood;
Surinam greenheart wood;
Taigu wood;
Taiguic acid;
Tecomin;
1,4-Naphthalenedione, 2-hydroxy-3-(3-methyl-2-butenyl)-;
1,4-Naphthoquinone, 2-hydroxy-3-(3-methyl-2-butenyl)-;
2-Hydroxy-3-(3-methyl-2-butenyl)-1,4-naphthalenedione;
2-Hydroxy-3-(3-methyl-2-butenyl)-1,4-naphthoquinone;
2-Hydroxy-3-(3-methylbut-2-enyl)-1,4-naphthoquinone;
2-Hydroxy-3-(3-methylbut-2-enyl)naphthalene-1,4-dione

In Other Databases

ChEMBL CHEMBL15193
Wikipedia Lapachol
KEGG C10366
ChemSpider 10770962