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(Q72515124)
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Carabrone
chemical compound
Octahydro-5a-methyl-3-methylene-5-(3-oxobutyl)-2H-cyclopropa[f]benzofuran-2-one
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
(4S)-5-methyl-10-methylidene-4-(3-oxobutyl)-8-oxatricyclo[5.3.0.0³,⁵]decan-9-one
1 reference
based on heuristic
inferred from SMILES
mass
248.1412445
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3aR,4aS,5S,5aS,6aR)-5a-methyl-3-methylidene-5-(3-oxobutyl)-3a,4,4a,5,6,6a-hexahydrocyclopropa[f][1]benzofuran-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3aS,4aS,5S,5aR,6aS)-5a-methyl-3-methylidene-5-(3-oxobutyl)-3a,4,4a,5,6,6a-hexahydrocyclopropa[f][1]benzofuran-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₀O₃
0 references
canonical SMILES
O=C1OC2CC3(C)C(CCC(=O)C)C3CC2C1=C
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isomeric SMILES
CC(=O)CC[C@H]1[C@H]2[C@@]1(C[C@@H]3[C@H](C2)C(=C)C(=O)O3)C
0 references
found in taxon
Flourensia riparia
1 reference
stated in
Constituents of two Flourensia species
Ophryosporus floribundus
1 reference
stated in
Seco-labdanes and other constituents fromOphryosporus floribundus
Vicoa divaricata
1 reference
stated in
Sesquiterpene Lactones and Thymol Esters fromVicoa pentanema
Carpesium macrocephalum
4 references
stated in
Sesquiterpenes from Carpesium macrocephalum inhibit Candida albicans biofilm formation and dimorphism
stated in
Sesquiterpene Lactones and other Constituents from the Aerial Parts of Carpesium macrocephalum
stated in
Phytochemical constituents of Carpesium macrocephalum F(R). et S(AV).
stated in
Sesquiterpene lactone glycosides, eudesmanolides, and other constituents from Carpesium macrocephalum
Arnica longifolia
1 reference
stated in
Structure revision of xanthalongin and further sesquiterpene lactones from flowers of Arnica longifolia
Carpesium abrotanoides
3 references
stated in
Sesquiterpene lactones from Carpesium abrotanoides
stated in
Cytotoxic Sesquiterpene Lactones from Carpesium abrotanoides
stated in
Sesquiterpene lactones from Carpesium abrotanoides
Carpesium faberi
1 reference
stated in
Antiproliferative and apoptotic sesquiterpene lactones from Carpesium faberi
Dittrichia graveolens
1 reference
stated in
A eudesmanolide and other constituents fromInula graveolens
Inula helenium
1 reference
stated in
Sesquiterpene lactones from Inula helenium
Psilostrophe cooperi
1 reference
stated in
A novel enol-pseudoguaianolide from Psilostrophe cooperi
Syncretocarpus sericeus
1 reference
stated in
Sesquiterpene lactones from Syncretocarpus sericeus
Pappobolus acutifolius
1 reference
stated in
Sesquiterpene lactones and benzofurans in glandular trichomes of three Pappobolus species
Pappobolus sagasteguii
1 reference
stated in
Sesquiterpene lactones and benzofurans in glandular trichomes of three Pappobolus species
Cassinia leptocephala
1 reference
stated in
Eremophilane derivatives and other constituents from Haeckeria species and further Australian inuleae
Arnica cordifolia
1 reference
stated in
Sesquiterpene lactones of Arnica cordifolia, subgenus Austromontana
Helichrysum reflexum
1 reference
stated in
A diterpene related to erythroxydiol from Helichrysum refluxum
Hymenoxys integrifolia
1 reference
stated in
Sesquiterpene Lactones from a Population of Helenium integrifolium
Klasea latifolia
1 reference
stated in
Sesquiterpene lactones from Serratula latifolia
Scalesia
1 reference
stated in
Sesquiterpene lactones and flavanones in Scalesia species
Inula grandis
1 reference
stated in
Grandulin and grandicin—New sesquiterpene lactones fromInula grandis
Pentanema caspicum
1 reference
stated in
Sesquiterpene lactones from Inula falconeri, a plant endemic to the Himalayas, as potential anti-inflammatory agents
Identifiers
InChI
InChI=1S/C15H20O3/c1-8(16)4-5-11-12-6-10-9(2)14(17)18-13(10)7-15(11,12)3/h10-13H,2,4-7H2,1,3H3/t10-,11+,12+,13-,15-/m1/s1
0 references
InChIKey
AGIQIKMGJVLKMA-NLRWUALESA-N
0 references
CAS Registry Number
1748-81-8
0 references
PubChem CID
164879
1 reference
matched by identifier from
InChIKey
InChIKey
AGIQIKMGJVLKMA-NLRWUALESA-N
UniChem compound ID
6834177
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90938585
1 reference
matched by identifier from
InChIKey
InChIKey
AGIQIKMGJVLKMA-NLRWUALESA-N
DSSTOX compound identifier
DTXCID401367108
0 references
Probes And Drugs ID
PD125224
0 references
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