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COCONUT Compound

18-Norabieta-8,11,13-trien-4-ol

CNP0220127.4 · C19H28O · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Name18-Norabieta-8,11,13-trien-4-ol
IUPAC Name(1~{R},4~{a}~{S},10~{a}~{R})-7-isopropyl-1,4~{a}-dimethyl-2,3,4,9,10,10~{a}-hexahydrophenanthren-1-ol
COCONUT IDCNP0220127.4
CAS22478-65-5
InChIKeySOJWLJKPIIODOH-GUDVDZBRSA-N
InChIInChI=1S/C19H28O/c1-13(2)14-6-8-16-15(12-14)7-9-17-18(16,3)10-5-11-19(17,4)20/h6,8,12-13,17,20H,5,7,9-11H2,1-4H3/t17-,18-,19-/m1/s1
SMILESCC(C)C1=CC=C2C(=C1)CC[C@H]1[C@](C)(O)CCC[C@]21C

Properties

Molecular FormulaC19H28O
Molecular Weight272.43
Exact Mass272.21402
Log P (ALogP)4.57
TPSA20.23
H-Bond Donors / Acceptors1 / 1
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.79
NP-likeness1.92

Classification

NP PathwayTerpenoids
NP SuperclassDiterpenoids
NP ClassAbietane diterpenoids
Chemical SuperclassLipids and lipid-like molecules
Chemical ClassPrenol lipids
Chemical SubclassDiterpenoids

Reported in GR-MAPs Plants

Asparagus racemosus as “Asparagus racemosus” in COCONUT

References (4)

  1. 10.1016/0031-9422(94)00868-T
  2. 10.1016/S0031-9422(98)00361-6
  3. 10.1055/S-2008-1034321
  4. 10.1080/10286020.2011.565747

Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.