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COCONUT Compound

ANTHRACENE

CNP0118577.0 · C14H10 · View on COCONUT ↗

2D Structure

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Identifiers

NameANTHRACENE
IUPAC Nameanthracene
COCONUT IDCNP0118577.0
CAS120-12-7, 54261-80-2
InChIKeyMWPLVEDNUUSJAV-UHFFFAOYSA-N
InChIInChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H
SMILESC1=CC=C2C=C3C=CC=CC3=CC2=C1

Properties

Molecular FormulaC14H10
Molecular Weight178.23
Exact Mass178.07825
Log P (ALogP)3.99
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds0
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.46
NP-likeness-0.16

Classification

NP PathwayShikimates and Phenylpropanoids
NP SuperclassPhenanthrenoids
NP ClassPhenanthrenes
Chemical SuperclassBenzenoids
Chemical ClassAnthracenes
Chemical SubclassAnthracenes

Reported in GR-MAPs Plants

Daucus carota as “Daucus carota” in COCONUT

References (6)

  1. 10.1016/0031-9422(91)84185-U
  2. 10.1016/0045-6535(91)90110-Y
  3. 10.1016/J.ACA.2004.09.082
  4. 10.1055/S-2008-1074841
  5. 10.1371/JOURNAL.PONE.0058004
  6. 10.3891/acta.chem.scand.13-0834

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.