waixenicin A

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Ligands
waixenicin A

Ligand id: 6359

Name: waixenicin A

Structure and Physico-chemical Properties

2D Structure

Calculated Physico-chemical Properties
Hydrogen bond acceptors	7
Hydrogen bond donors	0
Rotatable bonds	10
Topological polar surface area	88.13
Molecular weight	460.25
XLogP	4.06
No. Lipinski's rules broken	0

Molecular properties generated using the CDK

Classification
Compound class	Natural product or derivative

IUPAC Name
(2E,5S)-5-[(1R,4aS,11aR)-1-Acetoxy-7-methyl-11-methylene-1,4a,5,6,9,10,11,11a-octahydrocyclonona[c]pyran-4-yl]-2-methyl-2-pentene-1,5-diyl diacetate

IUPAC Name

(2E,5S)-5-[(1R,4aS,11aR)-1-Acetoxy-7-methyl-11-methylene-1,4a,5,6,9,10,11,11a-octahydrocyclonona[c]pyran-4-yl]-2-methyl-2-pentene-1,5-diyl diacetate

Database Links
CAS Registry No.	95230-65-2
GtoPdb PubChem SID	178102977
PubChem CID	73755210
Search Google for chemical match using the InChIKey	DCZJIZRGTZFSQY-JQIWXNGPSA-N
Search Google for chemicals with the same backbone	DCZJIZRGTZFSQY
Search UniChem for chemical match using the InChIKey	DCZJIZRGTZFSQY-JQIWXNGPSA-N
Search UniChem for chemicals with the same backbone	DCZJIZRGTZFSQY

Comments
From the soft coral Sarcothelia edmondsoni. Note that CAS registry number 95230-65-2 relates to the 'flat' molecule with no stereochemistry indicated.

Comments

From the soft coral Sarcothelia edmondsoni. Note that CAS registry number 95230-65-2 relates to the 'flat' molecule with no stereochemistry indicated.