General Characteristics
| NatID | 1060 |
| Common Name | NatID_1060 |
| Molecular Formula | C37H48O8 |
| Chemical Class | Benzopyrans > 1-benzopyrans |
| Molecular Weight | 620.335 g/mol |
| Other names | 1381793-66-3 |
Representations
| Smiles | CCCC(=O)C1=C(O)[C@](C)(C/C=C(\C)CCC=C(C)C)C(O)=C(Cc2c(O)c3c(c(C(=O)CCC)c2O)OC(C)(C)C=C3)C1=O |
| Inchi | InChI=1S/C37H48O8/c1-9-12-26(38)28-31(41)24(30(40)23-17-18-36(6,7)45-33(23)28)20-25-32(42)29(27(39)13-10-2)35(44)37(8,34(25)43)19-16-22(5)15-11-14-21(3)4/h14,16-18,40-41,43-44H,9-13,15,19-20H2,1-8H3/b22-16+/t37-/m1/s1 |
| Inchi Key | CJQMRIZSWBGMKJ-ZPPLYPLCSA-N |
| 3D Structure |
Calculated Properties
| clogP | 8.47 |
| 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 |
|---|---|---|---|---|
| 9192 | Elaphoglossum crassipes | No | Very High |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
| Loading... | ||||