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COCONUT Compound

Cryptotanshinone

CNP0417864.1 · C19H20O3 · View on COCONUT ↗

2D Structure

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Identifiers

NameCryptotanshinone
IUPAC Name(1~{R})-1,6,6-trimethyl-2,7,8,9-tetrahydro-1~{H}-naphtho[1,2-g]benzofuran-10,11-dione
COCONUT IDCNP0417864.1
CAS35825-57-1, 4733-35-1
InChIKeyGVKKJJOMQCNPGB-JTQLQIEISA-N
InChIInChI=1S/C19H20O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,10H,4-5,8-9H2,1-3H3/t10-/m0/s1
SMILESC[C@H]1COC2=C1C(=O)C(=O)C1=C2C=CC2=C1CCCC2(C)C

Properties

Molecular FormulaC19H20O3
Molecular Weight296.37
Exact Mass296.14124
Log P (ALogP)3.44
TPSA43.37
H-Bond Donors / Acceptors0 / 3
Rotatable Bonds0
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.69
NP-likeness2.44

Classification

NP PathwayPolyketides
NP SuperclassNaphthalenes
NP ClassAbietane diterpenoids
Chemical SuperclassLipids and lipid-like molecules
Chemical ClassSteroids and steroid derivatives
Chemical SubclassOxosteroids

Reported in GR-MAPs Plants

Rosmarinus officinalis as “Rosmarinus officinalis” in COCONUT

References (79)

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Showing 40 of 79. 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.