Structure

InChI Key GLIUZQUNUNICGS-XUBYYPQFSA-N
Smile CCc1noc(CC)c1C(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C
InChI
InChI=1S/C28H37NO7/c1-7-18-20(19(8-2)36-29-18)25(33)35-24-13(3)11-27-14(4)9-17-21(26(17,5)6)16(23(27)32)10-15(12-30)22(31)28(24,27)34/h10-11,14,16-17,21-22,24,30-31,34H,7-9,12H2,1-6H3/t14-,16+,17-,21+,22-,24+,27+,28+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H37NO7
Molecular Weight 499.6
AlogP 2.79
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 130.09
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 36.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Keratosis, Actinic 3 D055623 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3989918
DrugBank DB15109
FDA SRS 3B100VJ4ZW
PubChem 57410862
SureChEMBL SCHEMBL16153426