Crocusatin K
CNP0330071.1 · C10H16O3 · View on COCONUT ↗
Identifiers
| Name | Crocusatin K |
|---|
| IUPAC Name | (4~{R},5~{R})-4,5-dihydroxy-2,6,6-trimethyl-cyclohexene-1-carbaldehyde |
|---|
| COCONUT ID | CNP0330071.1 |
|---|
| InChIKey | YDOIHIWSLMXTHV-BDAKNGLRSA-N |
|---|
| InChI | InChI=1S/C10H16O3/c1-6-4-8(12)9(13)10(2,3)7(6)5-11/h5,8-9,12-13H,4H2,1-3H3/t8-,9+/m1/s1 |
|---|
| SMILES | CC1=C(C=O)C(C)(C)[C@@H](O)[C@H](O)C1 |
|---|
Properties
| Molecular Formula | C10H16O3 |
|---|
| Molecular Weight | 184.23 |
|---|
| Exact Mass | 184.10994 |
|---|
| Log P (ALogP) | 0.65 |
|---|
| TPSA | 57.53 |
|---|
| H-Bond Donors / Acceptors | 2 / 3 |
|---|
| Rotatable Bonds | 1 |
|---|
| Lipinski's Rule of 5 Violations | 0 |
|---|
| QED Drug-likeness | 0.59 |
|---|
| NP-likeness | 2.84 |
|---|
Classification
| NP Pathway | Terpenoids |
|---|
| NP Superclass | Apocarotenoids |
|---|
| NP Class | Apocarotenoids (β-) |
|---|
| Chemical Superclass | Organic oxygen compounds |
|---|
| Chemical Class | Organooxygen compounds |
|---|
| Chemical Subclass | Alcohols and polyols |
|---|
Reported in GR-MAPs Plants
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.
