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COCONUT Compound

Covi-ox

CNP0338526.4 · C29H50O2 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameCovi-ox
IUPAC Name(2~{R})-2,5,7,8-tetramethyl-2-[(4~{S},8~{S})-4,8,12-trimethyltridecyl]chroman-6-ol
COCONUT IDCNP0338526.4
CAS77171-98-3, 10191-41-0
InChIKeyGVJHHUAWPYXKBD-IHMCZWCLSA-N
InChIInChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29+/m0/s1
SMILESCC1=C(C)C2=C(CC[C@@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)O2)C(C)=C1O

Properties

Molecular FormulaC29H50O2
Molecular Weight430.72
Exact Mass430.38108
Log P (ALogP)8.84
TPSA29.46
H-Bond Donors / Acceptors1 / 2
Rotatable Bonds12
Lipinski's Rule of 5 Violations1
QED Drug-likeness0.36
NP-likeness1.50

Classification

NP PathwayTerpenoids
NP SuperclassMeroterpenoids
NP ClassPrenyl quinone meroterpenoids
Chemical SuperclassLipids and lipid-like molecules
Chemical ClassPrenol lipids
Chemical SubclassQuinone and hydroquinone lipids

Reported in GR-MAPs Plants

Rosmarinus officinalis as “Rosmarinus officinalis” in COCONUT
Origanum vulgare as “Origanum vulgare” in COCONUT
Eucalyptus citriodora as “Corymbia citriodora” in COCONUT
Oryza sativa as “Oryza sativa” in COCONUT

References (59)

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  36. 10.1038/SCIENTIFICAMERICAN03171888-10177BSUPP
  37. 10.1042/BJ0300890
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Showing 40 of 59. See all references on COCONUT.

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.