CAS 75514-37-3|CHAETOCHROMIN A

Introduction：Basic information about CAS 75514-37-3|CHAETOCHROMIN A, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. CHAETOCHROMIN A BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Synonyms

Common Name	CHAETOCHROMIN A
CAS Number	75514-37-3	Molecular Weight	546.52
Density	1.508g/cm3	Boiling Point	718.5ºC at 760 mmHg
Molecular Formula	C₃₀H₂₆O₁₀	Melting Point	/
MSDS	/	Flash Point	237.5ºC

Names

Name	5,6,8-trihydroxy-2,3-dimethyl-9-(5,6,8-trihydroxy-2,3-dimethyl-4-oxo-2,3-dihydrobenzo[g]chromen-9-yl)-2,3-dihydrobenzo[g]chromen-4-one
Synonym	More Synonyms

CHAETOCHROMIN A BiologicalActivity

Description	Chaetochromin A (Compound 1) is a fungal metabolite. Chaetochromin A shows inhibitory effect on botulinum neurotoxin serotype A (BoNT A) (IC50= 24.6 μM)[1].
Related Catalog	Signaling Pathways >>Others >>OthersResearch Areas >>Neurological Disease
Target	24.6 μM (BoNT A)[1]
References	[1]. Cardellina JH 2nd, et al. Fungal bis-Naphthopyrones as Inhibitors of Botulinum Neurotoxin Serotype A. ACS Med Chem Lett. 2012 Apr 2;3(5):387-91.

Chemical & Physical Properties

Density	1.508g/cm3
Boiling Point	718.5ºC at 760 mmHg
Molecular Formula	C₃₀H₂₆O₁₀
Molecular Weight	546.52
Flash Point	237.5ºC
Exact Mass	546.15300
PSA	173.98000
LogP	5.09300
Index of Refraction	1.729
InChIKey	RHNVLFNWDGWACV-UHFFFAOYSA-N
SMILES	CC1Oc2cc3c(-c4c(O)cc(O)c5c(O)c6c(cc45)OC(C)C(C)C6=O)c(O)cc(O)c3c(O)c2C(=O)C1C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DU3121500

CHEMICAL NAME :: (9,9'-Bi-4H-naphtho(2,3-b)pyran)-4,4'-dione, 2,2',3,3'-tetrahydro-5,5',6,6',8,8'-hexahydroxy- 2,2',3,3'-tetramethyl-

CAS REGISTRY NUMBER :: 75514-37-3

LAST UPDATED :: 199309

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C30-H26-O10

MOLECULAR WEIGHT :: 546.56

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 400 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: MAIKD3 Maikotokishin (Tokyo). Mycotoxin. (Maikotokishin Kenkyukai, c/o Tokyo Rika Daigaku Yakugakubu, 12 Funagawara-machi, Ichigaya, Shinjuku-ku, Tokyo 162, Japan) No.1- 1975- Volume(issue)/page/year: (12),28,1980

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 5 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: MAIKD3 Maikotokishin (Tokyo). Mycotoxin. (Maikotokishin Kenkyukai, c/o Tokyo Rika Daigaku Yakugakubu, 12 Funagawara-machi, Ichigaya, Shinjuku-ku, Tokyo 162, Japan) No.1- 1975- Volume(issue)/page/year: (12),28,1980

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >80 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: MAIKD3 Maikotokishin (Tokyo). Mycotoxin. (Maikotokishin Kenkyukai, c/o Tokyo Rika Daigaku Yakugakubu, 12 Funagawara-machi, Ichigaya, Shinjuku-ku, Tokyo 162, Japan) No.1- 1975- Volume(issue)/page/year: (12),28,1980 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 64800 ug/kg

SEX/DURATION :: female 1-18 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Specific Developmental Abnormalities - Central Nervous System

REFERENCE :: BECTA6 Bulletin of Environmental Contamination and Toxicology. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 07094) V.1- 1966- Volume(issue)/page/year: 39,299,1987

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 21600 ug/kg

SEX/DURATION :: female 1-18 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)

REFERENCE :: BECTA6 Bulletin of Environmental Contamination and Toxicology. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 07094) V.1- 1966- Volume(issue)/page/year: 39,299,1987

Synonyms

Chaetochromin

Bis(naphthodihydropyran-4-one)

Chaetochromin B

Chaetochromin A

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