COCONUT Compound

CNP0288430.11

CNP0288430.11 · C32H48O5 · View on COCONUT ↗

Identifiers

COCONUT IDCNP0288430.11
InChIKeyHMMGKOVEOFBCAU-GOBAHYPASA-N
InChIInChI=1S/C32H48O5/c1-18-9-12-28(4)15-16-30(6)21(25(28)19(18)2)17-22(34)26-29(5)13-11-24(37-20(3)33)32(8,27(35)36)23(29)10-14-31(26,30)7/h17-19,23-26H,9-16H2,1-8H3,(H,35,36)/t18-,19+,23-,24+,25+,26-,28-,29+,30-,31-,32-/m1/s1
SMILESCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@]23C)[C@@]1(C)C(=O)O

Properties

Molecular FormulaC32H48O5
Molecular Weight512.73
Exact Mass512.35017
Log P (ALogP)6.84
TPSA80.67
H-Bond Donors / Acceptors1 / 4
Rotatable Bonds2
Lipinski's Rule of 5 Violations2
QED Drug-likeness0.41
NP-likeness3.12

Classification

NP PathwayTerpenoids
NP SuperclassTriterpenoids
NP ClassSerratane triterpenoids
Chemical Superclass
Chemical Class
Chemical Subclass

Reported in GR-MAPs Plants

Boswellia serrata as “Boswellia serrata” in 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.