Compound Identification
SMILES
CC(C)C1=C2O[C@H]3OC4=C(C(=O)[C@@](O)(CC(C)=O)C5=C4C=CC4=C5C=CC=C4C)[C@@]3(C)OC2=C2C[C@@]34CCCC(C)(C)[C@@H]3C[C@H](O4)C2=C1
InChIKey
InChIKey=CAOXTPMJXZFCFI-RDFLCCBXSA-N
Formula
C41H44O7
Mass
648.796
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
- Subclass Diterpenoids
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Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Diterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Tanshinones, isotanshinones, and derivatives
Alternative Parents
11-beta-hydroxysteroids Oxosteroids Delta-7-steroids Oxasteroids and derivatives Phenanthrols Naphthofurans 2-benzopyrans Naphthalenes Cumenes Alkyl aryl ethers Para dioxins Beta-hydroxy ketones Acyloins Dihydrofurans Oxolanes Vinylogous esters Tertiary alcohols Oxacyclic compounds Dialkyl ethers Acetals Hydrocarbon derivatives Aldehydes Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Tanshinone skeleton - Hydroxysteroid - 12-oxosteroid - Oxosteroid - 11-beta-hydroxysteroid - 11-hydroxysteroid - Delta-7-steroid - 15-oxasteroid - Steroid - Phenanthrol - Phenanthrene - Naphthofuran - Isochromane - Benzopyran - Naphthalene - 2-benzopyran - Cumene - Alkyl aryl ether - Beta-hydroxy ketone - Benzenoid - Para-dioxin - Acyloin - Dihydrofuran - Tertiary alcohol - Vinylogous ester - Oxolane - Ketone - Organoheterocyclic compound - Oxacycle - Ether - Dialkyl ether - Acetal - Alcohol - Carbonyl group - Organic oxygen compound - Organooxygen compound - Aldehyde - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as tanshinones, isotanshinones, and derivatives. These are a group of abietane-type norditerpenoid quinones.
External Descriptors
Not available