herbarin, 36379-67-6

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CODE150117 CODE150117
Product(s):
36379-67-6 Herbarin 97%
Herbarin is a natural compound isolated from Nepeta septemcrenata.

Name:	3-hydroxy-7,9-dimethoxy-3-methyl-1,4-dihydrobenzo[g]isochromene-5,10-dione
CAS Number:	36379-67-6	3D/inchi
FDA UNII:	Search
Nikkaji Web:	J17.614A
XlogP3-AA:	0.80 (est)
Molecular Weight:	304.29872000
Formula:	C16 H16 O6
NMR Predictor:	Predict (works with chrome, Edge or firefox)

Category:natural substances and extractives

US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:

Google Scholar:	Search
Google Books:	Search
Google Scholar: with word "volatile"	Search
Google Scholar: with word "flavor"	Search
Google Scholar: with word "odor"	Search
Google Patents:	Search
US Patents:	Search
EU Patents:	Search
Pubchem Patents:	Search
PubMed:	Search
NCBI:	Search

Physical Properties:

Assay:	95.00 to 100.00
Food Chemicals Codex Listed:	No
Boiling Point:	548.47 °C. @ 760.00 mm Hg (est)
Flash Point:	404.00 °F. TCC ( 206.80 °C. ) (est)
logP (o/w):	2.120 (est)
Soluble in:
	water, 1436 mg/L @ 25 °C (est)

Organoleptic Properties:

Odor and/or flavor descriptions from others (if found).

Cosmetic Information:

None found

Suppliers:

BOC Sciences

For experimental / research use only.

Herbarin 97%

Odor: characteristic

Use: Herbarin is a natural compound isolated from Nepeta septemcrenata.

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

Safety in Use Information:

Category:
natural substances and extractives
Recommendation for herbarin usage levels up to:
	not for fragrance use.

Recommendation for herbarin flavor usage levels up to:
	not for flavor use.

Safety References:

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :3084629

National Institute of Allergy and Infectious Diseases:Data

3-hydroxy-7,9-dimethoxy-3-methyl-1,4-dihydrobenzo[g]isochromene-5,10-dione

Chemidplus:0036379676

References:

	3-hydroxy-7,9-dimethoxy-3-methyl-1,4-dihydrobenzo[g]isochromene-5,10-dione
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	3084629
Pubchem (sid):	135231940

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
HMDB (The Human Metabolome Database):	Search
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View
Wikipedia:	View

Potential Blenders and core components note

None Found

Potential Uses:

None Found

Occurrence (nature, food, other):note

found in nature

Synonyms:

3,4-	dihydro-3-hydroxy-7,9-dimethoxy-3-methyl-1H-naphtho(2,3-c)pyran-5,10-dione
3-	hydroxy-7,9-dimethoxy-3-methyl-1,4-dihydrobenzo[g]isochromene-5,10-dione
1H-	naphtho(2,3-c)pyran-5,10-dione, 3,4-dihydro-3-hydroxy-7,9-dimethoxy-3-methyl-

Articles:

PubMed:The synthesis of the pyranonaphthoquinones dehydroherbarin and anhydrofusarubin using Wacker oxidation methodology as a key step and other unexpected oxidation reactions with ceric ammonium nitrate and salcomine.

PubMed:Maximizing chemical diversity of fungal metabolites: biogenetically related Heptaketides of the endolichenic fungus Corynespora sp. (1).

PubMed:New naphthoquinone derivatives from the ascomycete IBWF79B-90A.

PubMed:Biosynthesis of scorpinone, a 2-azaanthraquinone from Amorosia littoralis, a fungus from marine sediment.

PubMed:Heptaketides from Corynespora sp. inhabiting the cavern beard lichen, Usnea cavernosa: first report of metabolites of an endolichenic fungus.

PubMed:New metabolites from sponge-derived fungi Curvularia lunata and Cladosporium herbarum.

PubMed:Synthesis of two naphthoquinone antibiotics, dehydroherbarin and 6-deoxybostrycoidin.

PubMed:Microbiological aspects of herbarin production.

PubMed:Structure of herbarin.

PubMed:Isolation and characterization of naphthaquinone pigments from Torula herbarum (Pers.). Herbarin and dehydroherbarin.

Notes:

None found

herbarin 3,4-dihydro-3-hydroxy-7,9-dimethoxy-3-methyl-1H-naphtho(2,3-c)pyran-5,10-dione

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Articles:

herbarin
3,4-dihydro-3-hydroxy-7,9-dimethoxy-3-methyl-1H-naphtho(2,3-c)pyran-5,10-dione