General Characteristics
2D structure
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