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(Q77377106)
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Berkazaphilone B
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
azaphilone
0 references
mass
386.136553044
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Pinophilin A
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₂O₇
0 references
canonical SMILES
O=C(OC1(C(=O)C=C2C=C(OCC2C1O)C=CC)C)C=3C(O)=CC(O)=CC3C
0 references
isomeric SMILES
C/C=C/C1=CC2=CC(=O)[C@]([C@@H]([C@H]2CO1)O)(C)OC(=O)C3=C(C=C(C=C3C)O)O
0 references
found in taxon
Penicillium rubrum
1 reference
stated in
Caspase-1 inhibitors from an extremophilic fungus that target specific leukemia cell lines
Talaromyces ruber
1 reference
stated in
Caspase-1 inhibitors from an extremophilic fungus that target specific leukemia cell lines
Identifiers
InChI
InChI=1S/C21H22O7/c1-4-5-14-7-12-8-17(24)21(3,19(25)15(12)10-27-14)28-20(26)18-11(2)6-13(22)9-16(18)23/h4-9,15,19,22-23,25H,10H2,1-3H3/b5-4+/t15-,19+,21-/m0/s1
0 references
InChIKey
JCQWLKQBYHSHOG-NRKPLWJESA-N
2 references
stated in
PubChem
PubChem CID
57379197
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
57379197
language of work or name
English
PubChem CID
57379197
2 references
stated in
PubChem
PubChem CID
57379197
language of work or name
English
matched by identifier from
InChIKey
InChIKey
JCQWLKQBYHSHOG-NRKPLWJESA-N
ChEBI ID
203355
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H22O7/c1-4-5-14-7-12-8-17(24)21(3,19(25)15(12)10-27-14)28-20(26)18-11(2)6-13(22)9-16(18)23/h4-9,15,19,22-23,25H,10H2,1-3H3/b5-4+/t15-,19+,21-/m0/s1
UniChem compound ID
27272669
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA006292
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JCQWLKQBYHSHOG-NRKPLWJESA-N
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