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Compounds

COMPOUND NPA006292

STRUCTURE
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PROPERTIES
NPAID NPA006292
CLUSTER ID 111
NODE ID 105
NAME Berkazaphilone B
FORMULA C21H22O7
MOLECULAR WEIGHT (Da) 386.4000
ACCURATE MASS (Da) 386.1366
ORIGIN ORGANISM TYPE Fungus
ORIGIN GENUS Penicillium
ORIGIN SPECIES rubrum
InChIKey JCQWLKQBYHSHOG-NRKPLWJESA-N
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
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
ORIGINAL ISOLATION REFERENCE
CITATION Stierle, Andrea A.; Stierle, Donald B.; Girtsman, Teri Caspase-1 inhibitors from an extremophilic fungus that target specific leukemia cell lines Journal of Natural Products 2012 75 (3) 344-350.
DOI 10.1021/np200414c PMID 22295871
ORIGINAL ISOLATION TAXONOMY
RANK NAME DB LINK NCBI
Domain Eukarya - 2759
Kingdom Fungi MycoBank 4751
Phylum Ascomycota MycoBank 4890
Class Eurotiomycetes MycoBank 147545
Order Eurotiales MycoBank 5042
Family Aspergillaceae MycoBank 1131492
Genus Penicillium MycoBank 5073
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