TPCN03001
![[object Object]](../../static/browser_molecular_png/TPCN03001.png)
| Name | 6-O-(2-carbonyl-3-methylbutanoyl)scutehenanine A |
| Molecular Formula | C31H37NO8 |
| Molecular Weight | 551.64 |
| CAS Registry Number | 1189052-15-0 |
| SMILES | CC1=CCCC2C1(C)C(OC(=O)C(=O)C(C)C)C(OC(=O)c1cccnc1)C(C)(O)C2(C)C=CC1=CC(=O)OC1 |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Lamiaceae | Scutellaria barbata | Whole plants | 0.000109% | J Nat Prod 72, 1793-1797 (2009). | 10.1021/np900362z |
Properties
| HBA | 9 | HBD | 1 |
| HeavyAtoms | 40 | AlogP | 3.92 |
| TPSA | 129.09 | RotatableBonds | 7 |
| FractionCSP3 | 0.52 | Rings | 4 |
| AromaticRings | 1 | AliphaticRings | 3 |