TPCN01302
![[object Object]](../../static/browser_molecular_png/TPCN01302.png)
| Name | 2-Acetyl-3????-methyl-3a,6,7,7a??-tetrahydro-1H-inden-4-oic acid methyl ester |
| Molecular Formula | C14H18O3 |
| Molecular Weight | 234.30 |
| CAS Registry Number | 932698-10-7 |
| SMILES | COC(=O)C1=CCCC2CC(C(C)=O)=CC12C |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Asteraceae | Ligularia lapathifolia | Roots | 0.000833% | J Nat Prod 70(2): 241-245.(2007) | 10.1021/np060304k |
Properties
| HBA | 3 | HBD | 0 |
| HeavyAtoms | 17 | AlogP | 2.42 |
| TPSA | 43.37 | RotatableBonds | 2 |
| FractionCSP3 | 0.57 | Rings | 2 |
| AromaticRings | 0 | AliphaticRings | 2 |