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(Q76005813)
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Avarone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-[(1,2,4a,5-Tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)methyl]cyclohexa-2,5-diene-1,4-dione
1 reference
based on heuristic
inferred from SMILES
mass
312.208930136
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₁H₂₈O₂
0 references
canonical SMILES
O=C1C=CC(=O)C(=C1)CC2(C)C(C)CCC3(C(=CCCC32)C)C
0 references
isomeric SMILES
C[C@H]1CC[C@]2([C@H]([C@]1(C)CC3=CC(=O)C=CC3=O)CCC=C2C)C
0 references
found in taxon
Dysidea avara
4 references
stated in
Further bioactive derivative of avarol from Dysidea avara
stated in
A new bioactive derivative of avarol from the marine sponge Dysidea avara
stated in
New Furano-sesquiterpenoids from Mediterranean Sponges
stated in
Effect of avarol, avarone and nine of their natural and synthetic derivatives on microsomal drug-metabolizing enzymes
Pleraplysilla spinifera
1 reference
stated in
New Furano-sesquiterpenoids from Mediterranean Sponges
Dysidea
2 references
stated in
New sesquiterpenoid hydroquinone and quinones from the Okinawan marine sponge (Dysidea sp.).
stated in
Anti-inflammatory sesquiterpene-quinones from the New Zealand sponge Dysidea cf. cristagalli
Identifiers
InChI
InChI=1S/C21H28O2/c1-14-6-5-7-19-20(14,3)11-10-15(2)21(19,4)13-16-12-17(22)8-9-18(16)23/h6,8-9,12,15,19H,5,7,10-11,13H2,1-4H3/t15-,19+,20+,21+/m0/s1
0 references
InChIKey
VPRHEJGLNUDEEH-LWILDLIXSA-N
0 references
CAS Registry Number
55303-99-6
1 reference
InChIKey
VPRHEJGLNUDEEH-LWILDLIXSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=55303-99-6
PubChem CID
72186
1 reference
matched by identifier from
InChIKey
InChIKey
VPRHEJGLNUDEEH-LWILDLIXSA-N
UniChem compound ID
193886
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40203851
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
VPRHEJGLNUDEEH-LWILDLIXSA-N
DSSTOX compound identifier
DTXCID70126342
0 references
NSC number
607774
0 references
UNII
ZR36JQ984T
1 reference
matched by identifier from
InChIKey
InChIKey
VPRHEJGLNUDEEH-LWILDLIXSA-N
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