NaturAr
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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
Download
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
Bioassays
Bioassay ID
NPASS ID
Target
Activity type
Activity