Structure Database (LMSD)

Common Name
Drimianin F
Systematic Name
3α,11β,14β-trihydroxybufa-4,20,22-trienolide
Synonyms
LM ID
LMST01130058
Formula
C24H32O5
Exact Mass
Calculate m/z
400.224975
Sum Composition
ST 24:5;O5
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
Bufanolides and derivatives [ST0113]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Drimia altissima (#65774)
Magnoliopsida (#3398)
Antiproliferative Bufadienolides from the Bulbs of Drimia altissima,
J Nat Prod, 2021
Pubmed ID: 33478223

String Representations

InChiKey (Click to copy)
YMQYTASTGDLXND-GHTSEYBASA-N
InChi (Click to copy)
InChI=1S/C24H32O5/c1-22-9-7-16(25)11-15(22)4-5-18-21(22)19(26)12-23(2)17(8-10-24(18,23)28)14-3-6-20(27)29-13-14/h3,6,11,13,16-19,21,25-26,28H,4-5,7-10,12H2,1-2H3/t16-,17-,18-,19+,21-,22+,23-,24+/m1/s1
SMILES (Click to copy)
C1[C@@]2(C)C(CC[C@]3([H])[C@]2([H])[C@@H](O)C[C@@]2(C)[C@]3(O)CC[C@]2([H])C2C=CC(=O)OC=2)=C[C@H](O)C1

Other Databases

PubChem CID
164621435

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 5
Aromatic Rings 1
Rotatable Bonds 1
Van der Waals Molecular Volume 384.45
Topological Polar Surface Area 90.90
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 4.89
Molar Refractivity 109.92

Admin

Created at
22nd Jan 2021
Updated at
25th Jan 2021