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COCONUT Compound

Caryolan-1-ol

CNP0273216.1 · C15H26O · View on COCONUT ↗

2D Structure

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Identifiers

NameCaryolan-1-ol
IUPAC Name(1~{R},2~{S},5~{R},8~{S})-4,4,8-trimethyltricyclo[6.3.1.0^{2,5}]dodecan-1-ol
COCONUT IDCNP0273216.1
CAS472-97-9, 56747-96-7, 58404-89-0
InChIKeyFUQAYSQLAOJBBC-PAPYEOQZSA-N
InChIInChI=1S/C15H26O/c1-13(2)9-12-11(13)5-8-14(3)6-4-7-15(12,16)10-14/h11-12,16H,4-10H2,1-3H3/t11-,12+,14+,15-/m1/s1
SMILESCC1(C)C[C@H]2[C@H]1CC[C@]1(C)CCC[C@@]2(O)C1

Properties

Molecular FormulaC15H26O
Molecular Weight222.37
Exact Mass222.19837
Log P (ALogP)3.75
TPSA20.23
H-Bond Donors / Acceptors1 / 1
Rotatable Bonds0
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.66
NP-likeness2.92

Classification

NP PathwayTerpenoids
NP SuperclassSesquiterpenoids
NP ClassCaryolane sesquiterpenoids
Chemical SuperclassOrganic oxygen compounds
Chemical ClassOrganooxygen compounds
Chemical SubclassAlcohols and polyols

Reported in GR-MAPs Plants

Cymbopogon martini as “Cymbopogon Martinii” in COCONUT
Eucalyptus citriodora as “Corymbia citriodora; Eucalyptus citriodora” in COCONUT

References (7)

  1. 10.1016/S0031-9422(03)00188-2
  2. 10.1021/ACS.JNATPROD.5B00827
  3. 10.1021/JF00118A056
  4. 10.1021/NP400872M
  5. 10.1021/acs.jnatprod.5b00827
  6. 10.1021/np400872m
  7. 10.1111/1750-3841.12113

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.