CNP0288430.11 · C32H48O5 · View on COCONUT ↗
| COCONUT ID | CNP0288430.11 |
|---|---|
| InChIKey | HMMGKOVEOFBCAU-GOBAHYPASA-N |
| InChI | InChI=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 |
| SMILES | CC(=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 |
| Molecular Formula | C32H48O5 |
|---|---|
| Molecular Weight | 512.73 |
| Exact Mass | 512.35017 |
| Log P (ALogP) | 6.84 |
| TPSA | 80.67 |
| H-Bond Donors / Acceptors | 1 / 4 |
| Rotatable Bonds | 2 |
| Lipinski's Rule of 5 Violations | 2 |
| QED Drug-likeness | 0.41 |
| NP-likeness | 3.12 |
| NP Pathway | Terpenoids |
|---|---|
| NP Superclass | Triterpenoids |
| NP Class | Serratane triterpenoids |
| Chemical Superclass | |
| Chemical Class | |
| Chemical Subclass |
| 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.