Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: C04AX24
UNII: 0RL4V0K263

Structure

InChI Key GVBNSPFBYXGREE-CXWAGAITSA-N
Smile CC[C@@H](C)C(=O)O[C@@H]1[C@H](OC(C)=O)c2c(ccc3ccc(=O)oc23)OC1(C)C
InChI
InChI=1S/C21H24O7/c1-6-11(2)20(24)27-19-18(25-12(3)22)16-14(28-21(19,4)5)9-7-13-8-10-15(23)26-17(13)16/h7-11,18-19H,6H2,1-5H3/t11-,18-,19-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H24O7
Molecular Weight 388.42
AlogP 3.53
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 92.04
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 28.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 10001
ChEMBL CHEMBL3989444
DrugBank DB13355
DrugCentral 3649
FDA SRS 0RL4V0K263
KEGG C09316
PubChem 442151
SureChEMBL SCHEMBL309874
ZINC ZINC000000608130