alpha-pinene - Compound Summary (CID 6654)
beta-pinene is also available; used in manufacture of camphor, insecticides, solvents, plasticizers, perfume bases, synthetic pine oil; can be irritating to skin, mucous membranes; RN given refers to (alpha)-isomer; structure; an insect attractants
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 Drug and Chemical Information: (Total:1)
Safety and Toxicology
HSDB - Peer-reviewed summary of toxicity and biomedical effects | NJ-HSFS - New Jersey Material Data Safety Sheets | CCRIS - Carcinogenicity, tumor promotion, tumor inhibition, and mutagenicity tests | EINECS - European Inventory of Existing Commercial Chemical Substances | TOXLINE - Citations to the toxicological literature |
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 BioActivity Results:
Tested in BioAssays: All: 103 Inactive: 100
BioActivity Summary: This Compound with Similar Compounds
AID: 1487 Source: NCGC
qHTS Assay for Modulators of Lamin A Splicing
AID: 1479 Source: NCGC
Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2
AID: 1477 Source: NCGC
qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia
AID: 1469 Source: NCGC
qHTS for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2
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 Properties Computed from Structure:
| Molecular Weight | 136.23404 [g/mol] | | Molecular Formula | C10H16 | | XLogP3-AA | 2.8 | | H-Bond Donor | 0 | | H-Bond Acceptor | 0 | | Rotatable Bond Count | 0 | | Exact Mass | 136.125201 | | MonoIsotopic Mass | 136.125201 | | Topological Polar Surface Area | 0 | | Heavy Atom Count | 10 | | Formal Charge | 0 | | Complexity | 186 | | Isotope Atom Count | 0 | | Defined Atom StereoCenter Count | 0 | | Undefined Atom StereoCenter Count | 2 | | Defined Bond StereoCenter Count | 0 | | Undefined Bond StereoCenter Count | 0 | | Covalently-Bonded Unit Count | 1 |
Descriptors Computed from Structure:
IUPAC Name: 4,7,7-trimethylbicyclo[3.1.1]hept-3-ene
Canonical SMILES: CC1=CCC2CC1C2(C)C
InChI: InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3
InChIKey: GRWFGVWFFZKLTI-UHFFFAOYSA-N
Compound Information:
 Substance Information:
Substances:
All: 100 Links Same structure: 47 Links Mixture: 53 LinksCategory: [for same structure substances]
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| Compound ID | 6654 |
| | Molecular Weight | 136.23404 [g/mol] |
| | Molecular Formula | C10H16 |
| | XLogP3-AA | 2.8 |
| | H-Bond Donor | 0 |
| | H-Bond Acceptor | 0 |
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