PlantaeDB Logo
Login Sign-up

Protophomine

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 eb45444e-1b6c-422e-b6ef-364bc2b29bda
Taxonomy Organoheterocyclic compounds > Isoindoles and derivatives > Isoindolines > Isoindolones
IUPAC Name (3E,11E)-18-benzyl-9,15,16-trimethyl-19-azatricyclo[11.7.0.01,17]icosa-3,11,15-triene-2,14,20-trione
SMILES (Canonical) CC1CCCCC=CC(=O)C23C(C=CC1)C(=O)C(=C(C2C(NC3=O)CC4=CC=CC=C4)C)C
SMILES (Isomeric) CC1CCCC/C=C/C(=O)C23C(/C=C/C1)C(=O)C(=C(C2C(NC3=O)CC4=CC=CC=C4)C)C
InChI InChI=1S/C29H35NO3/c1-19-12-7-4-5-10-17-25(31)29-23(16-11-13-19)27(32)21(3)20(2)26(29)24(30-28(29)33)18-22-14-8-6-9-15-22/h6,8-11,14-17,19,23-24,26H,4-5,7,12-13,18H2,1-3H3,(H,30,33)/b16-11+,17-10+
InChI Key NNDRVGKCDJPTHD-XAXODXSJSA-N
Popularity 2 references in papers

Physical and Chemical Properties

Top
Molecular Formula C29H35NO3
Molecular Weight 445.60 g/mol
Exact Mass 445.26169398 g/mol
Topological Polar Surface Area (TPSA) 63.20 Ų
XlogP 5.60

Synonyms

Top
52212-93-8
16-Methyl-10-phenyl-(13)-cytochalasa-5(6),13,21-trien-1,7,23-trione
(13)Cytochalasa-5,13,21-triene-1,7,23-trione, 16-methyl-10-phenyl-, (13E,16R,21E)-
(3E,11E)-18-benzyl-9,15,16-trimethyl-19-azatricyclo[11.7.0.01,17]icosa-3,11,15-triene-2,14,20-trione

2D Structure

Top
2D Structure of Protophomine

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
CHEMBL2581 P07339 Cathepsin D 99.23% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.88% 95.56%
CHEMBL2693 Q9UIQ6 Cystinyl aminopeptidase 96.03% 97.64%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 91.63% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.45% 96.09%
CHEMBL5805 Q9NR97 Toll-like receptor 8 90.26% 96.25%
CHEMBL3192 Q9BY41 Histone deacetylase 8 89.32% 93.99%
CHEMBL3137262 O60341 LSD1/CoREST complex 88.24% 97.09%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 88.04% 94.62%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 87.69% 94.45%
CHEMBL4072 P07858 Cathepsin B 83.81% 93.67%
CHEMBL216 P11229 Muscarinic acetylcholine receptor M1 82.34% 94.23%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 81.17% 95.50%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 80.87% 93.00%
CHEMBL4523377 Q86WV6 Stimulator of interferon genes protein 80.64% 95.48%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.08% 95.89%

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 6450303
LOTUS LTS0079905
wikiData Q77380983