CINOBUFOTALIN

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: L0QBZ37386

Structure
InChI Key KBKUJJFDSHBPPA-ZNCGZLKOSA-N
Smile CC(=O)O[C@@H]1[C@H](c2ccc(=O)oc2)[C@@]2(C)CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C)[C@]23O[C@H]13
InChI
InChI=1S/C26H34O7/c1-14(27)32-21-20(15-4-5-19(29)31-13-15)24(3)10-7-17-18(26(24)22(21)33-26)8-11-25(30)12-16(28)6-9-23(17,25)2/h4-5,13,16-18,20-22,28,30H,6-12H2,1-3H3/t16-,17-,18+,20-,21+,22+,23+,24+,25-,26+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H34O7
Molecular Weight 458.55
AlogP 2.91
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 109.5
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 33.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL517341
FDA SRS L0QBZ37386
PubChem 259776
SureChEMBL SCHEMBL643121
ZINC ZINC000004916381
CONTENTS