Chemical Molecules



Molecule Details

Molecule ID MOL49
Compound Name Eudesma-4(15),7-dien-1b-ol
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Primary Details

Compound Name Eudesma-4(15),7-dien-1b-ol
Synonym Name Eudesma-4(14),7-dien-1.beta.-ol
CAS ID
IUPAC Name (1R,8aR)-8a-methyl-4-methylidene-6-propan-2-yl-1,2,3,4a,5,8-hexahydronaphthalen-1-ol
Molecular Formula C15H24O
Chemical Safety
External Database ID

6429131 

Inchi InChI=1S/C15H24O/c1-10(2)12-7-8-15(4)13(9-12)11(3)5-6-14(15)16/h7,10,13-14,16H,3,5-6,8-9H2,1-2,4H3/t13?,14-,15-/m1/s1
INCHI Key FGPDTARJOXRWJD-JVIGXAJISA-N
Canonical SMILES CC(C)C1=CCC2(C(CCC(=C)C2C1)O)C
Molecule Type -
Group -
Sub-Group 1 -
Sub-Group 2 -
Sub-Group 3 -
Sub-Group 4 -
Sub-Group 5 -
Description

 

Chemical & Physical Properties

Molecular Weight 220.35 g/mol
LogP (Octanol-Water) 3.804
Hydrogen Donor Count 1
Bond Acceptor Count 1
Rotable Bond Count 1
Topological Surface Area 20 Ų
Heavy Atom Count 16
Melting Point Nil
Boiling Point Nil
Water Solubility Nil
Henry's Law Constant Nil
pKa Dissociation Constant Nil
Vapour Pressure Nil
Molecule Density Nil
Molecule Stability Nil
Kovats retention Index Semi-standard non-polar: 1685
Physical Description

 

Spectra Information

No data found

Biological Activities

Activity Name
Molecule Target
Comment

 

References
  1. Xiong, G., Wu, Z., Yi, J., Fu, L., Yang, Z., Hsieh, C., ... & Cao, D. (2021). ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties. Nucleic acids research, 49(W1), W5-W14.
  2. Kim, S., Chen, J., Cheng, T., Gindulyte, A., He, J., He, S., ... & Bolton, E. E. (2019). PubChem 2019 update: improved access to chemical data. Nucleic acids research, 47(D1), D1102-D1109.

Other Details

No data found

Plants

No data found

Crude Drugs

No data found