Structure Database (LMSD)
Common Name
Pochonin C
Systematic Name
Synonyms
LM ID
LMPK15030077
Formula
C18H18O6Cl2
Exact Mass
Calculate m/z
400.048046
Status
Curated
3D model of Pochonin C
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
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Humicola fuscoatra
(#112175)
Sordariomycetes
(#147550)
Study of marine natural products including resorcyclic acid lactones from Humicola fuscoatra that reactivate latent HIV-1 expression in an in vitro model of central memory CD4+ T cells.,
J Nat Prod, 2014
J Nat Prod, 2014
Pubmed ID:
24495105
String Representations
InChiKey (Click to copy)
MQEXBOUTQRMRFJ-DNUHDEBKSA-N
InChi (Click to copy)
InChI=1S/C18H18Cl2O6/c1-9-6-13(22)12(19)5-3-2-4-10(21)7-11-16(18(25)26-9)14(23)8-15(24)17(11)20/h2-5,8-9,12-13,22-24H,6-7H2,1H3/b4-2+,5-3-/t9-,12+,13-/m1/s1
SMILES (Click to copy)
C1(O)=CC(O)=C(Cl)C2CC(=O)C=CC=C[C@H](Cl)[C@H](O)C[C@H](OC(=O)C1=2)C
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
2
Aromatic Rings
1
Rotatable Bonds
Van der Waals Molecular Volume
349.02
Topological Polar Surface Area
106.13
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
6
logP
3.75
Molar Refractivity
98.45
Admin
Created at
7th Jul 2025
Updated at
7th Jul 2025