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(Q75058953)
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emericolin D
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
1,4,16-Trimethyl-13-prop-1-en-2-yltetracyclo[9.7.0.03,7.012,16]octadeca-5,8-diene-8-carboxylic acid
1 reference
based on heuristic
inferred from SMILES
chemical structure
Emericolin D.svg
525 × 490; 19 KB
0 references
mass
368.271530392
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1R,3S,4S,7R,11S,12S,13S,16S)-1,4,16-trimethyl-13-prop-1-en-2-yltetracyclo[9.7.0.03,7.012,16]octadeca-5,8-diene-8-carboxylic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₅H₃₆O₂
0 references
canonical SMILES
O=C(O)C1=CCC2C3C(C(=C)C)CCC3(C)CCC2(C)CC4C1C=CC4C
0 references
isomeric SMILES
C[C@H]1C=C[C@@H]/2[C@H]1C[C@]3(CC[C@@]4(CC[C@@H]([C@H]4[C@@H]3C/C=C2/C(=O)O)C(=C)C)C)C
0 references
found in taxon
Aspergillus aurantiobrunneus
3 references
stated in
Inhibition of the human chemokine receptor CCR5 by variecolin and variecolol and isolation of four new variecolin analogues, emericolins A-D, from Emericella aurantiobrunnea
stated in
Inhibition of the human chemokine receptor CCR5 by variecolin and variecolol and isolation of four new variecolin analogues, emericolins A-D, from Emericella aurantiobrunnea
stated in
Inhibition of the human chemokine receptor CCR5 by variecolin and variecolol and isolation of four new variecolin analogues, emericolins A-D, from Emericella aurantiobrunnea
Identifiers
InChI
InChI=1S/C25H36O2/c1-15(2)17-10-11-24(4)12-13-25(5)14-20-16(3)6-7-18(20)19(23(26)27)8-9-21(25)22(17)24/h6-8,16-18,20-22H,1,9-14H2,2-5H3,(H,26,27)/b19-8+/t16-,17+,18-,20-,21-,22-,24-,25+/m0/s1
0 references
InChIKey
XYGOQXIIYXSIFJ-MROKGFDXSA-N
2 references
stated in
PubChem
PubChem CID
6480210
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
6480210
language of work or name
English
PubChem CID
6480210
2 references
stated in
PubChem
PubChem CID
6480210
language of work or name
English
matched by identifier from
InChIKey
InChIKey
XYGOQXIIYXSIFJ-MROKGFDXSA-N
ChEBI ID
198237
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C25H36O2/c1-15(2)17-10-11-24(4)12-13-25(5)14-20-16(3)6-7-18(20)19(23(26)27)8-9-21(25)22(17)24/h6-8,16-18,20-22H,1,9-14H2,2-5H3,(H,26,27)/b19-8+/t16-,17+,18-,20-,21-,22-,24-,25+/m0/s1
UniChem compound ID
97429
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA000803
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XYGOQXIIYXSIFJ-MROKGFDXSA-N
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