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COCONUT Compound

10-(9-hydroxy-8-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-10-yl)-8-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol

CNP0247562.0 · C38H36N2O6 · View on COCONUT ↗

2D Structure

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Identifiers

Name10-(9-hydroxy-8-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-10-yl)-8-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol
IUPAC Name10-(9-hydroxy-8-methoxy-3,3,5-trimethyl-11~{H}-pyrano[3,2-a]carbazol-10-yl)-8-methoxy-3,3,5-trimethyl-11~{H}-pyrano[3,2-a]carbazol-9-ol
COCONUT IDCNP0247562.0
CAS477890-82-7
InChIKeyDQRAEENKHHFBHV-UHFFFAOYSA-N
InChIInChI=1S/C38H36N2O6/c1-17-13-21-23-15-25(43-7)33(41)27(31(23)39-29(21)19-9-11-37(3,4)45-35(17)19)28-32-24(16-26(44-8)34(28)42)22-14-18(2)36-20(30(22)40-32)10-12-38(5,6)46-36/h9-16,39-42H,1-8H3
SMILESCOC1=CC2=C(NC3=C4C=CC(C)(C)OC4=C(C)C=C32)C(C2=C(O)C(OC)=CC3=C2NC2=C4C=CC(C)(C)OC4=C(C)C=C23)=C1O

Properties

Molecular FormulaC38H36N2O6
Molecular Weight616.71
Exact Mass616.25734
Log P (ALogP)9.04
TPSA108.96
H-Bond Donors / Acceptors4 / 6
Rotatable Bonds3
Lipinski's Rule of 5 Violations2
QED Drug-likeness0.16
NP-likeness1.16

Classification

NP PathwayAlkaloids
NP SuperclassTryptophan alkaloids
NP ClassCarbazole alkaloids
Chemical SuperclassOrganoheterocyclic compounds
Chemical ClassIndoles and derivatives
Chemical SubclassCarbazoles

Reported in GR-MAPs Plants

Murraya koenigii as “Murraya Koenigii” in COCONUT

References (2)

  1. 10.1021/NP020468A
  2. 10.1021/np020468a

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.