DIHYDROTACHYSTEROL

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: A11CC02
UNII: R5LM3H112R

Structure
InChI Key ILYCWAKSDCYMBB-OPCMSESCSA-N
Smile CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3\C[C@@H](O)CC[C@@H]3C)CCC[C@@]21C
InChI
InChI=1S/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-22,25-27,29H,7-8,11,14-18H2,1-6H3/b10-9+,23-12+,24-13+/t20-,21-,22+,25-,26+,27-,28+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H46O
Molecular Weight 398.68
AlogP 7.72
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 20.23
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 29.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Vitamin D receptor agonist PubMed PubMed PubMed PubMed PubMed PubMed PubMed

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 4591
ChEMBL CHEMBL2356023
DrugBank DB01070
DrugCentral 2841
EPA CompTox DTXSID5022938
FDA SRS R5LM3H112R
Human Metabolome Database HMDB0015203
PubChem 5311071
SureChEMBL SCHEMBL41340
ZINC ZINC000004212953
CONTENTS