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(Q75070309)
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Benastatin B
bioactive natural product
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
502.1991533
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₀H₃₀O₇
0 references
canonical SMILES
O=C(O)C1=C(O)C=2C=3C=C4C(C(=O)C=5C(O)=CC(O)=CC5C4(C)C)=C(O)C3CCC2C=C1CCCCC
0 references
found in taxon
Streptomyces
2 references
stated in
Benastatins A and B, new inhibitors of glutathione S-transferase, produced by Streptomyces sp. MI384-DF12. I. Taxonomy, production, isolation, physico-chemical properties and biological activities.
stated in
Benastatins C and D, new inhibitors of glutathione S-transferase, produced by Streptomyces sp. MI384-DF12. Production, isolation, structure determination and biological activities
Identifiers
InChI
InChI=1S/C30H30O7/c1-4-5-6-7-14-10-15-8-9-17-18(22(15)27(34)23(14)29(36)37)13-20-25(26(17)33)28(35)24-19(30(20,2)3)11-16(31)12-21(24)32/h10-13,31-34H,4-9H2,1-3H3,(H,36,37)
0 references
InChIKey
FUKMCLKFEWEFSC-UHFFFAOYSA-N
2 references
stated in
PubChem
PubChem CID
126409
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
126409
language of work or name
English
CAS Registry Number
138968-86-2
0 references
PubChem CID
126409
2 references
stated in
PubChem
PubChem CID
126409
language of work or name
English
matched by identifier from
InChIKey
InChIKey
FUKMCLKFEWEFSC-UHFFFAOYSA-N
ChEBI ID
200324
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C30H30O7/c1-4-5-6-7-14-10-15-8-9-17-18(22(15)27(34)23(14)29(36)37)13-20-25(26(17)33)28(35)24-19(30(20,2)3)11-16(31)12-21(24)32/h10-13,31-34H,4-9H2,1-3H3,(H,36,37)
UniChem compound ID
32050848
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90160849
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
FUKMCLKFEWEFSC-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID9083340
0 references
KNApSAcK ID
C00016745
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FUKMCLKFEWEFSC-UHFFFAOYSA-N
Natural Product Atlas ID
NPA003217
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FUKMCLKFEWEFSC-UHFFFAOYSA-N
Probes And Drugs ID
PD151015
0 references
LIPID MAPS ID
LMPK13050006
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
31 December 2022
InChIKey
FUKMCLKFEWEFSC-UHFFFAOYSA-N
based on heuristic
InChIKey match
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