CHAETOCHROMIN A

Modify Date: 2025-08-27 19:38:01

CHAETOCHROMIN A Structure
CHAETOCHROMIN A structure
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 N/A
MSDS N/A Flash Point 237.5ºC

 Use of CHAETOCHROMIN A


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].

 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 Biological Activity

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
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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