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(Q77573771)
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Napyradiomycin E
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
10a-[(3-bromo-2,2-dimethyl-6-methylidenecyclohexyl)methyl]-3-chloro-6,8-dihydroxy-2,2-dimethyl-3H-benzo[g]chromene-5,10-dione
1 reference
based on heuristic
inferred from SMILES
mass
522.080863776
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₅H₂₈BrClO₅
0 references
canonical SMILES
O=C1C=2C(O)=CC(O)=CC2C(=O)C3(OC(C)(C)C(Cl)C=C13)CC4C(=C)CCC(Br)C4(C)C
0 references
isomeric SMILES
CC1([C@H](CCC(=C)[C@H]1C[C@]23C(=C[C@H](C(O2)(C)C)Cl)C(=O)C4=C(C3=O)C=C(C=C4O)O)Br)C
0 references
found in taxon
Streptomyces
1 reference
stated in
Cytotoxic and Antimicrobial Napyradiomycins from Two Marine-Derived, MAR 4 Streptomyces Strains.
Identifiers
InChI
InChI=1S/C25H28BrClO5/c1-12-6-7-18(26)23(2,3)16(12)11-25-15(10-19(27)24(4,5)32-25)21(30)20-14(22(25)31)8-13(28)9-17(20)29/h8-10,16,18-19,28-29H,1,6-7,11H2,2-5H3/t16-,18+,19-,25-/m1/s1
0 references
InChIKey
VBPKTZGJWVBPSM-PMEUVPMPSA-N
2 references
stated in
PubChem
PubChem CID
139587776
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
139587776
language of work or name
English
PubChem CID
139587776
2 references
stated in
PubChem
PubChem CID
139587776
language of work or name
English
matched by identifier from
InChIKey
InChIKey
VBPKTZGJWVBPSM-PMEUVPMPSA-N
ChEBI ID
224309
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C25H28BrClO5/c1-12-6-7-18(26)23(2,3)16(12)11-25-15(10-19(27)24(4,5)32-25)21(30)20-14(22(25)31)8-13(28)9-17(20)29/h8-10,16,18-19,28-29H,1,6-7,11H2,2-5H3/t16-,18+,19-,25-/m1/s1
UniChem compound ID
154115549
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA016806
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VBPKTZGJWVBPSM-PMEUVPMPSA-N
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