alpha-pinene
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Formula: C10H16
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Molecular weight: 136.23
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Smiles: CC1=CCC2CC1C2(C)C
alpha-pinene
Names
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Mycotoxin name: alpha-pinene
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First synonym: (+)-alpha-pinene
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Synonyms: (+)-alpha-Pinene,7785-70-8,(1R,5R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene,(1R)-(+)-alpha-Pinene,(+)-Pin-2(3)-ene,(1R,5R)-alpha-pinene,UNII-H6CM4TWH1W,alpha-Pinene(dextro),1R-(+)-a-pinene,H6CM4TWH1W,(+)-alpha-Pinene, 98%,Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1R,5R)-,CHEBI:28261,MFCD00001346,(+)-3,6,6-TRIMETHYLBICYCLO[3.1.1]HEPT-2-ENE,(1R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene,(1R,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-ene,Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl-, (1R,5R)-,(1S)-(-)-alpha-Pinene,alpha-Pinene, (+)-,(1R,5R)-2-Pinene,CCRIS 9059,l-Pinen,1R-alpha-Pinene,1R-a-Pinene,EINECS 232-087-8,2,6,6-trimethyl-Bicyclo(3.1.1)hept-2-ene,alpha-Pinene, 98%,(+)-.alpha.-Pinene,1R-(+)-alpha-pinene,EC 232-087-8,(1R,5R)-pin-2-ene,DSSTox_CID_21671,DSSTox_RID_79811,DSSTox_GSID_41671,CHEMBL1236329,DTXSID7041671,(+)-alpha-Pinene, >=99%,ZINC967579,Tox21_303429,2203AC,AKOS016842885,(+)-alpha-Pinene, analytical standard,EBD2198276,LMPR0102120012,NCGC00257486-01,(1R)-(+)-alpha-Pinene, 97%, FG,AS-35304,BC000911,CAS-7785-70-8,(1R)-(+)-alpha-Pinene (90per cent ee),4,7,7-trimethylbicyclo[3.1.1]hept-3-ene,C06306,785P264,Q-101284,Q2095629,(1R)-(+)-ALPHA-PINENE(EE VALUE 80-90%),(1S,5S)-4,7,7-trimethylbicyclo[3.1.1]hept-3-ene,alpha-Pinene, primary pharmaceutical reference standard,UNII-996299PUKB component GRWFGVWFFZKLTI-RKDXNWHRSA-N,UNII-JPF3YI7O34 component GRWFGVWFFZKLTI-RKDXNWHRSA-N,Bicyclo(3.1.1)hept-2-ene, 2,6,6-trimethyl-, (1theta)-
Identifiers / External links
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CAS: 05-00-0,7785-70-8,25766-18-1,2437-95-8,80-56-8
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PubChem CID: 82227
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DSS TOX CID: DTXCID006501
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ChemSpiderID: 6402
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ChEMBL: CHEMBL442565,CHEMBL1236329
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US FDA (UNII): UNII-H6CM4TWH1W,UNII-JPF3YI7O34,UNII-996299PUKB
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Wikidata (wiki): Q2095629,Q27104380
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Chemical Entities of Biological Interest (CHEBI): CHEBI:28261,CHEBI:36740
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CompTox Chemicals Dashboard (DTXSID): DTXSID4026501,DTXSID7041671
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TOX21 samples 2:Tox21_303385,Tox21_303429,Tox21_110996,Tox21_200108
Structure
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Smiles: CC1=CCC2CC1C2(C)C
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Isomeric smiles: CC1=CCC2CC1C2(C)C
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Inchi: InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3
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Inchikey: GRWFGVWFFZKLTI-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C10H16
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Molecular weight: 136.23
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Monoisotopic mass: 136.12520051
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Fungi
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Fungi id Species 801 Penicillium expansum