isocaryophyllene

chemical compound

Wikidata entity: Q27106968

C₁₅H₂₄ (P274)


Quantities

P2067mass204.187801

P233 canonical SMILES String CC1=CCCC(=C)C2CC(C2CC1)(C)C ???
P703 found in taxon ... Q23501 (tomato plant) tomato plant
P703 found in taxon ... Q26726 (Cannabis sativa) Cannabis sativa
P703 found in taxon ... Q38859 (basil) basil
P703 found in taxon ... Q43084 (Piper nigrum) Piper nigrum
P703 found in taxon ... Q43511 (Foeniculum vulgare) Foeniculum vulgare
P703 found in taxon ... Q132624 (Cuminum cyminum) Cuminum cyminum
P703 found in taxon ... Q147388 (Cryptomeria japonica) Cryptomeria japonica
P703 found in taxon ... Q206532 (Aloysia citrodora) Aloysia citrodora
P703 found in taxon ... Q170461 (Azadirachta indica) Azadirachta indica
P703 found in taxon ... Q166843 (Psidium guajava) Psidium guajava
P703 found in taxon ... Q207745 (Angelica archangelica) Angelica archangelica
P703 found in taxon ... Q211457 (Pinus halepensis) Pinus halepensis
P703 found in taxon ... Q257757 (Pogostemon cablin) Pogostemon cablin
P703 found in taxon ... Q306504 (Eugenia uniflora) Eugenia uniflora
P703 found in taxon ... Q582243 (Artemisia filifolia) Artemisia filifolia
P703 found in taxon ... Q729143 (Eryngium) Eryngium
P703 found in taxon ... Q499671 (Acca sellowiana) Acca sellowiana
P703 found in taxon ... Q796252 (Salvia dorisiana) Salvia dorisiana
P703 found in taxon ... Q1076038 (Perilla frutescens) Perilla frutescens
P703 found in taxon ... Q1302761 (Thymbra capitata) Thymbra capitata
P703 found in taxon ... Q1308044 (Artemisia annua) Artemisia annua
P703 found in taxon ... Q1813408 (Melaleuca quinquenervia) Melaleuca quinquenervia
P703 found in taxon ... Q1891719 (Aristolochia elegans) Aristolochia elegans
P703 found in taxon ... Q2355390 (Ocimum gratissimum) Ocimum gratissimum
P703 found in taxon ... Q2421262 (Aloysia gratissima) Aloysia gratissima
P703 found in taxon ... Q2430349 (Thymus longiflorus) Thymus longiflorus
P703 found in taxon ... Q3276123 (Conyza sumatrensis) Conyza sumatrensis
P703 found in taxon ... Q5403824 (Baccharis coridifolia) Baccharis coridifolia
P703 found in taxon ... Q5648537 (Blepharocalyx salicifolius) Blepharocalyx salicifolius
P703 found in taxon ... Q2453589 (Conyza bonariensis) Conyza bonariensis
P703 found in taxon ... Q3004324 (Croton flavens) Croton flavens
P703 found in taxon ... Q7691623 (Brucea javanica) Brucea javanica
P703 found in taxon ... Q10295328 (Heterotropa) Heterotropa
P703 found in taxon ... Q10380975 (Tetradenia riparia) Tetradenia riparia
P703 found in taxon ... Q10866744 (Dendropanax trifidus) Dendropanax trifidus
P703 found in taxon ... Q12618577 (Aster scaber) Aster scaber
P703 found in taxon ... Q1543811 (Santolina chamaecyparissus) Santolina chamaecyparissus
P703 found in taxon ... Q1717986 (Persicaria minor) Persicaria minor
P703 found in taxon ... Q15560529 (Cassinia uncata) Cassinia uncata
P703 found in taxon ... Q15561441 (Cassinia subtropica) Cassinia subtropica
P703 found in taxon ... Q15576158 (Othonna obtusiloba) Othonna obtusiloba
P703 found in taxon ... Q15373290 (Thymus funkii) Thymus funkii
P703 found in taxon ... Q15545355 (Asarum asperum) Asarum asperum
P703 found in taxon ... Q15559963 (Cassinia laevis) Cassinia laevis
P703 found in taxon ... Q13399102 (Thymus capitatus) Thymus capitatus
P703 found in taxon ... Q15326413 (Curcuma pierreana) Curcuma pierreana
P703 found in taxon ... Q15364005 (Satureja cuneifolia) Satureja cuneifolia
P703 found in taxon ... Q15595481 (Persicaria hydropiperoides) Persicaria hydropiperoides
P703 found in taxon ... Q17835000 (Vismia cayennensis) Vismia cayennensis
P703 found in taxon ... Q21247918 (Citrus wilsonii) Citrus wilsonii
P703 found in taxon ... Q59420273 (Feijoa sellowiana) Feijoa sellowiana
P703 found in taxon ... Q85189147 (Blepharocalyx tweediei) Blepharocalyx tweediei
P703 found in taxon ... Q21381608 (Perilla frutescens var. hirtella) Perilla frutescens var. hirtella
P703 found in taxon ... Q21874195 (Erigeron bonariensis) Erigeron bonariensis
P703 found in taxon ... Q28801933 (Lippia dulcis) Lippia dulcis
P703 found in taxon ... Q50827133 (Aristolochia littoralis) Aristolochia littoralis
P703 found in taxon ... Q52626960 (Aloysia triphylla) Aloysia triphylla
P703 found in taxon ... Q93041993 (Monosis parishii) Monosis parishii
P703 found in taxon ... Q104668461 (Aloysia citriodora) Aloysia citriodora
P31 instance of ... Q113145171 (type of chemical entity) type of chemical entity
P2017 isomeric SMILES String C/C/1=C/CCC(=C)[C@H]2CC([C@@H]2CC1)(C)C ???
P3364 stereoisomer of ... Q421614 (caryophyllene) caryophyllene
P3364 stereoisomer of ... Q82143795 (CTK1J1717) CTK1J1717
P3364 stereoisomer of ... Q27132453 ((+)-beta-caryophyllene) (+)-beta-caryophyllene
P3364 stereoisomer of ... Q27137093 ((E)-2-epi-beta-caryophyllene) (E)-2-epi-beta-caryophyllene
P3364 stereoisomer of ... Q105183205 (Bicyclo(7.2.0)undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1S,4E,9R)-) Bicyclo(7.2.0)undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1S,4E,9R)-
P3364 stereoisomer of ... Q105183208 ((Z)-caryophyllene) (Z)-caryophyllene
P3364 stereoisomer of ... Q105183210 (Caryophyllene (z-)) Caryophyllene (z-)
P3364 stereoisomer of ... Q105183233 ((1R,4Z,9R)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene) (1R,4Z,9R)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene
P3364 stereoisomer of ... Q105183234 (Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1R,4E,9S)-) Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1R,4E,9S)-
P279 subclass of ... Q108257122 (caryophyllane sesquiterpenoid) caryophyllane sesquiterpenoid
P279 subclass of ... Q109910560 (biogenic aliphatic hydrocarbon) biogenic aliphatic hydrocarbon
External Ids
P11160Cannabis Database ID000711
P231CAS Registry Number118-65-0
P683ChEBI ID5993
P592ChEMBL IDCHEMBL448700
P661ChemSpider ID4444855
P3073CosIng number41224
P715DrugBank IDDB16854
P8494DSSTOX compound identifierDTXCID201022518
P3117DSSTox substance IDDTXSID10881246
P232EC number204-267-6
P2566ECHA Substance Infocard ID100.003.880
P2057Human Metabolome Database IDHMDB0061779
P234InChIInChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6-/t13-,14-/m1/s1
P235InChIKeyNPNUFJAVOOONJE-FLFDDASRSA-N
P665KEGG IDC09691
P2064KNApSAcK IDC00012474
P2063LIPID MAPS IDLMPR0103120002
P6689MassBank accession IDMSBNK-Fac_Eng_Univ_Tokyo-JP002852
P6689MassBank accession IDMSBNK-Fac_Eng_Univ_Tokyo-JP007124
P6689MassBank accession IDMSBNK-Fac_Eng_Univ_Tokyo-JP007539
P6689MassBank accession IDMSBNK-Fac_Eng_Univ_Tokyo-JP010683
P662PubChem CID5281522
P4964SPLASHsplash10-0006-9400000000-17580c580b9bac158421
P4964SPLASHsplash10-0006-9400000000-cc1cb468f4f5a1307735
P4964SPLASHsplash10-05o3-9600000000-975e9caf823997629d96
P2877SureChEMBL ID310637
P11089UniChem compound ID172625
P652UNIINRY8I0KNIR

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