Natural Products Atlas | Compounds

The Natural Products Atlas

Login

Compounds

COMPOUND NPA033273

STRUCTURE

Image structure

EXPORT OPTIONS	PNG JSON SDF
PROJECT MOLECULE TO GLOBAL VIEW	See Global

EXTERNAL LINKS

PROPERTIES

NPAID	NPA033273
CLUSTER ID	63
NODE ID	59
NAME	Calidoustene A
FORMULA	C21H28O6
MOLECULAR WEIGHT (Da)	376.4490
ACCURATE MASS (Da)	376.1886
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Aspergillus
ORIGIN SPECIES	calidoustus
InChIKey	DNRUQTVOVDWFFG-BEFOBABASA-N
InChI	InChI=1S/C21H28O6/c1-19(2)9-7-10-20(3)17(19)15(27-16(23)8-5-4-6-11-22)12-14-13-26-18(24)21(14,20)25/h4-6,8,12,15,17,22,25H,7,9-11,13H2,1-3H3/b6-4+,8-5+/t15-,17+,20+,21+/m1/s1
SMILES	CC1(C)CCC[C@@]2(C)[C@H]1[C@H](OC(=O)/C=C/C=C/CO)C=C1COC(=O)[C@@]12O

ORIGINAL ISOLATION REFERENCE

CITATION	Hoefgen, Sandra; Huang, Ying; Valiante, Vito Biosynthesis of Fungal Drimane-Type Sesquiterpene Esters Angewandte Chemie International Edition 2021 60 (44) 23763-23770.
DOI	10.1002/anie.202108970	PMID	34468074

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Eurotiomycetes	MycoBank	147545
Order	Eurotiales	MycoBank	5042
Family	Aspergillaceae	MycoBank	1131492
Genus	Aspergillus	MycoBank	5052

CLASSYFIRE

Show		Hide
DESCRIPTION	[[ getValue('description') ]]
KINGDOM	[[ getValue('kingdom') ]]
SUPER CLASS	[[ getValue('superclass') ]]
CLASS	[[ getValue('class') ]]
SUB CLASS	[[ getValue('subclass') ]]
MOLECULAR FRAMEWORK	[[ getValue('molecular_framework') ]]

NP CLASSIFIER

Show		Hide
SUPER CLASS	[[ getValue('superclass_results') ]]
CLASS	[[ getValue('class_results') ]]
PATHWAY	[[ getValue('pathway_results') ]]
IS GLYCOSIDE?	[[ getValue('isglycoside') ]]

If you encounter an issue on the website, please submit a bug report, feature request, or general issue through the issue tracker on GitHub.

Made with ♥ using Python

DB Version: 2024_09

Website Version: 3.0.1

Creative Commons License

The Natural Products Atlas is licensed under a Creative Commons Attribution-Noncommercial 4.0 International License.

Back to top of page