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COCONUT Compound

Sageone

CNP0207987.0 · C19H24O3 · View on COCONUT ↗

2D Structure

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Identifiers

NameSageone
IUPAC Name5,6-dihydroxy-7-isopropyl-1,1-dimethyl-2,3,9,10-tetrahydrophenanthren-4-one
COCONUT IDCNP0207987.0
CAS142546-15-4
InChIKeyNPQAMUFQEFLLCY-UHFFFAOYSA-N
InChIInChI=1S/C19H24O3/c1-10(2)12-9-11-5-6-13-16(15(11)18(22)17(12)21)14(20)7-8-19(13,3)4/h9-10,21-22H,5-8H2,1-4H3
SMILESCC(C)C1=CC2=C(C3=C(CC2)C(C)(C)CCC3=O)C(O)=C1O

Properties

Molecular FormulaC19H24O3
Molecular Weight300.40
Exact Mass300.17254
Log P (ALogP)4.31
TPSA57.53
H-Bond Donors / Acceptors2 / 3
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.76
NP-likeness1.60

Classification

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

Reported in GR-MAPs Plants

Rosmarinus officinalis as “Rosmarinus officinalis” in COCONUT
Salvia officinalis as “Salvia officinalis” in COCONUT

References (10)

  1. 10.1016/0031-9422(92)80282-J
  2. 10.1016/0031-9422(92)83493-I
  3. 10.1016/J.PHYMED.2016.06.014
  4. 10.1016/S0031-9422(00)94798-8
  5. 10.1016/S0031-9422(97)00151-9
  6. 10.1016/S0305-1978(02)00165-5
  7. 10.1016/j.phymed.2016.09.008
  8. 10.1021/NP060279I
  9. 10.1055/A-0608-4946
  10. 10.1080/14786419.2016.1269096

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.