Structure

InChI Key WDOGQTQEKVLZIJ-WAYWQWQTSA-N
Smile COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OP(=O)(O)O
InChI
InChI=1S/C18H21O8P/c1-22-14-8-7-12(9-15(14)26-27(19,20)21)5-6-13-10-16(23-2)18(25-4)17(11-13)24-3/h5-11H,1-4H3,(H2,19,20,21)/b6-5-

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H21O8P
Molecular Weight 396.33
AlogP 3.36
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 103.68
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 27.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Thyroid Neoplasms 3 D013964 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Neuroendocrine Tumors 2 D018358 ClinicalTrials
Ovarian Neoplasms 1 D010051 ClinicalTrials

Related Entries

Scaffolds

Salt
Salt

Cross References

Resources Reference
CAS NUMBER 222030-63-9
ChEMBL CHEMBL1206232
DrugBank DB12577
FDA SRS I5590ES2QZ
Guide to Pharmacology 8857
PubChem 5351387
SureChEMBL SCHEMBL66079
ZINC ZINC000001543513