General Characteristics
2D structure
NatID 222
Common Name (S)-5,5'-Bisoranjidiol,5,5′-bis(1,6-dihydroxy-2-methylanthraquinone)
Molecular Formula C30H18O8
Chemical Class Anthracenes > Anthraquinones
Molecular Weight 506.100 g/mol
Other names

 

Representations
Smiles Cc1ccc2c(c1O)C(=O)c1ccc(O)c(-c3c(O)ccc4c3C(=O)c3ccc(C)c(O)c3C4=O)c1C2=O
Inchi InChI=1S/C30H18O8/c1-11-3-5-15-21(25(11)33)29(37)13-7-9-17(31)23(19(13)27(15)35)24-18(32)10-8-14-20(24)28(36)16-6-4-12(2)26(34)22(16)30(14)38/h3-10,31-34H,1-2H3
Inchi Key WFYHQJDUHNWSFJ-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 4.34
TPSA 149.20
HBD 4
HBA 8
Rotatable Bonds 1
Aromatic Rings 4
Heavy Atoms 38
Aromatic Carbocycles 4
Aromatic Heterocycles 0
Number of NO 8

 

Experiments
EID Source Semisynthetic? Confidence level References
9684 Heterophyllaea pustulata No Very High Núñez Montoya, S. C., Agnese, A. M., & Cabrera, J. L. (2006). Anthraquinone Derivatives from Heterophyllaea pustulata. Journal of Natural Products, 69(5), 801–803. https://doi.org/10.1021/np050181o

 

Bioassay ID NPASS ID Target Activity type Activity