TIGILANOL TIGLATE

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: R1ZJT87990

Structure
InChI Key YLQZMOUMDYVSQR-FOWZUWBHSA-N
Smile C/C=C(\C)C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)[C@H](O)[C@@]3(CO)O[C@H]3[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)[C@@H](C)CC
InChI
InChI=1S/C30H42O10/c1-9-13(3)23(33)38-21-16(6)28(36)17-11-15(5)20(32)29(17,37)25(35)27(12-31)22(39-27)18(28)19-26(7,8)30(19,21)40-24(34)14(4)10-2/h9,11,14,16-19,21-22,25,31,35-37H,10,12H2,1-8H3/b13-9+/t14-,16+,17-,18+,19+,21+,22-,25+,27-,28-,29+,30+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H42O10
Molecular Weight 562.66
AlogP 1.23
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 6.0
Polar Surface Area 163.12
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 40.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Melanoma 1 D008545 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3989916
FDA SRS R1ZJT87990
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