Structure Database (LMSD)

Common Name
Haterumaimide F
Systematic Name
Synonyms
LM ID
LMPR0104030024
Formula
C20H30NO4Cl
Exact Mass
Calculate m/z
383.186337
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]
Labdane and halimane diterpenoids [PR010403]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Lissoclinum sp. (#3159528)
Ascidiacea (#7713)
Haterumaimides F-I, four new cytotoxic diterpene alkaloids from an ascidian Lissoclinum species.,
J Nat Prod, 2001
Pubmed ID: 11575950

String Representations

InChiKey (Click to copy)
ILPIGMAGHRKRKI-WMRABNJFSA-N
InChi (Click to copy)
InChI=1S/C20H30ClNO4/c1-10-5-15(24)17-19(2,3)8-11(21)9-20(17,4)13(10)7-14(23)12-6-16(25)22-18(12)26/h11-15,17,23-24H,1,5-9H2,2-4H3,(H,22,25,26)/t11-,12+,13-,14-,15+,17-,20+/m0/s1
SMILES (Click to copy)
C1[C@@H](Cl)CC(C)(C)[C@]2([H])[C@H](O)CC(=C)[C@H](C[C@H](O)[C@]3([H])C(=O)NC(=O)C3)[C@@]12C

Other Databases

PubChem CID
10475085

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