General Characteristics
| NatID | 1067 |
| Common Name | NatID_1067 |
| Molecular Formula | C37H48O8 |
| Chemical Class | Prenol lipids > Sesquiterpenoids |
| Molecular Weight | 620.335 g/mol |
| Other names | 1381789-44-1 |
Representations
| Smiles | CCCC(=O)C1=C(O)[C@](C)(C/C=C(\C)C/C=C/C(C)(C)O)C(O)=C(Cc2cc(C(=O)CCC)c3c(c2O)C=CC(C)(C)O3)C1=O |
| Inchi | InChI=1S/C37H48O8/c1-9-12-27(38)25-20-23(30(40)24-16-18-36(6,7)45-32(24)25)21-26-31(41)29(28(39)13-10-2)34(43)37(8,33(26)42)19-15-22(3)14-11-17-35(4,5)44/h11,15-18,20,40,42-44H,9-10,12-14,19,21H2,1-8H3/b17-11+,22-15+/t37-/m1/s1 |
| Inchi Key | CHADDMYNAGMZFK-LRNUJXEQSA-N |
| 3D Structure |
Calculated Properties
| clogP | 7.74 |
| TPSA | 141.36 |
| HBD | 4 |
| HBA | 8 |
| Rotatable Bonds | 13 |
| Aromatic Rings | 1 |
| Heavy Atoms | 45 |
| Aromatic Carbocycles | 1 |
| Aromatic Heterocycles | 0 |
| Number of NO | 8 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9199 | Elaphoglossum crassipes | No | Very High |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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