Structure Database (LMSD)
Common Name
Chlorolissoclimide
Systematic Name
Synonyms
LM ID
LMPR0104030028
Formula
C20H30NO4Cl
Exact Mass
Calculate m/z
383.186337
Status
Active
3D model of Chlorolissoclimide
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Level 4 Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Lissoclinum sp.
(#3159528)
Ascidiacea
(#7713)
Effects in vitro of two marine substances, chlorolissoclimide and dichlorolissoclimide, on a non-small-cell bronchopulmonary carcinoma line (NSCLC-N6).,
Anticancer Drug Des, 1992
Anticancer Drug Des, 1992
Pubmed ID:
1337432
String Representations
InChiKey (Click to copy)
LCBZIVZSFYGPBC-LWHFJPTFSA-N
InChi (Click to copy)
InChI=1S/C20H30ClNO4/c1-10-13(6-15(24)12-5-17(25)22-18(12)26)20(4)9-11(21)8-19(2,3)16(20)7-14(10)23/h11-16,23-24H,1,5-9H2,2-4H3,(H,22,25,26)/t11-,12+,13-,14-,15-,16-,20+/m0/s1
SMILES (Click to copy)
C1[C@@H](Cl)CC(C)(C)[C@]2([H])C[C@H](O)C(=C)[C@H](C[C@H](O)[C@]3([H])C(=O)NC(=O)C3)[C@@]12C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
3
Aromatic Rings
Rotatable Bonds
3
Van der Waals Molecular Volume
370.93
Topological Polar Surface Area
86.63
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
5
logP
3.25
Molar Refractivity
100.92
Admin
Created at
17th Oct 2024
Updated at
17th Oct 2024