PlantaeDB Logo
Login Sign-up

Chrodrimanin H

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

Top
Internal ID a2e02f92-62e2-45bc-97a2-2f01d6debf51
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones
IUPAC Name (1S,6R,14R,15S,17R,22S)-10,15-dihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10-triene-8,19-dione
SMILES (Canonical) CC1CC2=C(C(=CC3=C2CC4C5(CCC(=O)C(C5CC(C4(O3)C)O)(C)C)C)O)C(=O)O1
SMILES (Isomeric) C[C@@H]1CC2=C(C(=CC3=C2C[C@H]4[C@]5(CCC(=O)C([C@@H]5C[C@@H]([C@@]4(O3)C)O)(C)C)C)O)C(=O)O1
InChI InChI=1S/C25H32O6/c1-12-8-14-13-9-18-24(4)7-6-19(27)23(2,3)17(24)11-20(28)25(18,5)31-16(13)10-15(26)21(14)22(29)30-12/h10,12,17-18,20,26,28H,6-9,11H2,1-5H3/t12-,17+,18+,20+,24+,25-/m1/s1
InChI Key FWXJBWSYMUZVRM-GIOGGLKRSA-N
Popularity 5 references in papers

Physical and Chemical Properties

Top
Molecular Formula C25H32O6
Molecular Weight 428.50 g/mol
Exact Mass 428.21988874 g/mol
Topological Polar Surface Area (TPSA) 93.10 Ų
XlogP 4.10

Synonyms

Top
CHEMBL3581318
CHEBI:156416
BDBM50107844

2D Structure

Top
2D Structure of Chrodrimanin H

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 99.20% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.99% 95.56%
CHEMBL2581 P07339 Cathepsin D 92.09% 98.95%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 92.07% 99.23%
CHEMBL1806 P11388 DNA topoisomerase II alpha 90.45% 89.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.27% 86.33%
CHEMBL3137262 O60341 LSD1/CoREST complex 90.11% 97.09%
CHEMBL1951 P21397 Monoamine oxidase A 89.96% 91.49%
CHEMBL1994 P08235 Mineralocorticoid receptor 85.42% 100.00%
CHEMBL1937 Q92769 Histone deacetylase 2 85.05% 94.75%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 84.79% 93.40%
CHEMBL2535 P11166 Glucose transporter 84.09% 98.75%
CHEMBL2553 Q15418 Ribosomal protein S6 kinase alpha 1 82.65% 85.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.51% 94.45%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 81.96% 90.71%

Plants that contains it

Top
Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
There are no matching plants.

Cross-Links

Top
PubChem 102194063
LOTUS LTS0069050
wikiData Q105003687