TPCN00335
![[object Object]](../../static/browser_molecular_png/TPCN00335.png)
| Name | Incarvillateine E |
| Molecular Formula | C53H81N3O8 |
| Molecular Weight | 888.24 |
| CAS Registry Number | 870245-68-4 |
| SMILES | COc1cc(C2C(C(=O)OC3CC4C(C)CN(C)CC4C3C)C(CCC(C)=CC(=O)OC3CC4C(C)CN(C)CC4C3C)C2(C)C(=O)OC2CC3C(C)CN(C)CC3C2C)ccc1O |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Bignoniaceae | Incarvillea sinensis | Aerial parts | 0.000497% | Chem Pharm Bull (Tokyo), 2005, 53, 1178-1179. | 10.1248/cpb.53.1178 |
Properties
| HBA | 11 | HBD | 1 |
| HeavyAtoms | 64 | AlogP | 7.76 |
| TPSA | 118.08 | RotatableBonds | 11 |
| FractionCSP3 | 0.79 | Rings | 8 |
| AromaticRings | 1 | AliphaticRings | 7 |