Natural Product (NP) Details

General Information of the NP (ID: NP1014)
Name
Marein
Species Origin Marein (Coreopsis tinctoria) ...     Click to Show/Hide
Marein (Coreopsis tinctoria)
SuperKingdom: Eukaryota
Kingdom: Plantae
Phylum: Tracheophyta
Class: Magnoliopsida
Order: Asterales
Family: Asteraceae
Genus: Coreopsis
Species: C. tinctoria
Disease Breast cancer [ICD-11: 2C60] Investigative
Structure
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2D MOL

3D MOL

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Formula
C21H22O11
PubChem CID
6441269
Canonical SMILES
C1=CC(=C(C=C1/C=C/C(=O)C2=C(C(=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)O
InChI
InChI=1S/C21H22O11/c22-8-15-18(28)19(29)20(30)21(32-15)31-14-6-3-10(16(26)17(14)27)11(23)4-1-9-2-5-12(24)13(25)7-9/h1-7,15,18-22,24-30H,8H2/b4-1+/t15-,18-,19+,20-,21-/m1/s1
InChIKey
XGEYXJDOVMEJNG-HTFDPZBKSA-N
CAS Number
535-96-6
ChEBI ID
CHEBI:179868
Target and Pathway
Target(s) Apoptosis regulator Bcl-2 (BCL-2)  Molecule Info