(6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene|(6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene|FARNESYL|farnesyl|(6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene|(6E,10E)-2,6,10-TRIMETHYLDODECA-2,6,10-TRI...

General Information

Structure

Molecular Formula

C₁₅H₂₆

Molecular Mass

206.36694

Exact Mass

206.20345083

Charge

InChI

InChI=1S/C15H26/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,7-8,10-11H2,1-5H3/b14-6+,15-12+

InChIKey

JXBSHSBNOVLGHF-BUJBXKITSA-N

Canonic Smiles

C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C

Isomeric Smiles

C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C

Calculated Properties

JChem

LogD (pH = 7.4)

5.44

LogD (pH = 5.5)

5.44

Log P

5.44

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

false

Polar Surface Area

0.00

Polarizability

27.82

Molar Refractivity

73.21

LOG S

-5.63

Data Source

Academic Data

Data Source

Names and Identifiers

IUPAC name

(6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene 2,6,10-trimethyldodeca-2,6,10-triene

IUPAC Traditional name

(6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene farnesyl β-farnesene

Synonyms

FARNESYL(6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene(6E,10E)-2,6,10-TRIMETHYLDODECA-2,6,10-TRIENE2,6,10-trimethyldodeca-2,6,10-triene

Names and Identifiers

Registration numbers

PubChem CID

444108

PubChem SID

994442231609688172669725514718034

UniProt Database

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

PDBeChem Database

FAR

Beilstein Number

18163431748256

Protein Data Bank

3q797q9s1kzp1ltx4bg66j7f5tb55v355tar5lnf7q9u5u9i3t5i7q9r6j8v3t5g

BKMS React Database

195154

BRENDA Ligand Database

195154

SureChEMBL Database

SCHEMBL3090338

BRENDA Database

5.4.99.17

CHEBI ID

CHEBI:42362CHEBI:42360CHEBI:36533CHEBI:36534

Registration numbers

Properties

No Data Available

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Related Proteins

Related Proteins

Molecular Spectra

No Data Available

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Molecule Details

DrugBank

DB07752

Drug information: experimental

Molecule Details

References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

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General Information

Calculated Properties

• RDKit

• JChem

Data Source

• Academic Data

Names and Identifiers

• IUPAC name

• IUPAC Traditional name

• Synonyms

Registration numbers

• PubChem CID

• PubChem SID

• UniProt Database

• PDBeChem Database

• Beilstein Number

• Protein Data Bank

• BKMS React Database

• BRENDA Ligand Database

• SureChEMBL Database

• BRENDA Database

• CHEBI ID

• PDB Bank

• DrugBank

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:5388