lapachenole
 
Notes:
None found
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CAS Number: 573-13-7Picture of molecule3D/inchi
Nikkaji Web: J11.530D
XlogP3-AA: 4.10 (est)
Molecular Weight: 240.30192000
Formula: C16 H16 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Soluble in:
 water, 1.705 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
 None found
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Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: natural substances and extractives
Recommendation for lapachenole usage levels up to:
 not for fragrance use.
 
Recommendation for lapachenole flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
Cancer Citations: Search
Toxicology Citations: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 174859
National Institute of Allergy and Infectious Diseases: Data
 6-methoxy-2,2-dimethylbenzo[h]chromene
Chemidplus: 0000573137
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References:
 6-methoxy-2,2-dimethylbenzo[h]chromene
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 174859
Pubchem (cas): 573-13-7
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
CHEBI: View
CHEMBL: View
KEGG (GenomeNet): C09950
HMDB (The Human Metabolome Database): Search
FooDB: FDB001519
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 sinningia canescens
Search Trop  Picture
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Synonyms:
6-methoxy-2,2-dimethylbenzo[h]chromene
2H-naphtho(1,2-b)pyran, 6-methoxy-2,2-dimethyl-
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Articles:
PubMed: Naphthochromenes and Related Constituents from the Tubers of Sinningia allagophylla.
PubMed: Chemical Constituents from Sinningia canescens and S. warmingii.
PubMed: Simultaneous synthesis of both rings of chromenes via a benzannulation/o-quinone methide formation/electrocyclization cascade.
PubMed: Cysteine 98 in CYP3A4 contributes to conformational integrity required for P450 interaction with CYP reductase.
PubMed: Photochromic agents as tools for protein structure study: lapachenole is a photoaffinity ligand of cytochrome P450 3A4.
PubMed: Fluorescent photoaffinity labeling of cytochrome P450 3A4 by lapachenole: identification of modification sites by mass spectrometry.
PubMed: The sensitizing capacity of naturally occurring quinones. Experimental studies in guinea pigs. I. Naphthoquinones and related compounds.
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