Anhydroplatynecine

Details

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Internal ID bba8f585-a22c-432c-8476-898c3e6ef672
Taxonomy Organoheterocyclic compounds > Pyrrolizidines
IUPAC Name (1R)-7-methylidene-1,2,3,5,6,8-hexahydropyrrolizin-1-ol
SMILES (Canonical) C=C1CCN2C1C(CC2)O
SMILES (Isomeric) C=C1CCN2C1[C@@H](CC2)O
InChI InChI=1S/C8H13NO/c1-6-2-4-9-5-3-7(10)8(6)9/h7-8,10H,1-5H2/t7-,8?/m1/s1
InChI Key OVTJHGIWYOOHFS-GVHYBUMESA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C8H13NO
Molecular Weight 139.19 g/mol
Exact Mass 139.099714038 g/mol
Topological Polar Surface Area (TPSA) 23.50 Ų
XlogP 0.10

Synonyms

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OVTJHGIWYOOHFS-GVHYBUMESA-N

2D Structure

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2D Structure of Anhydroplatynecine

3D Structure

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ADMET Properties (via admetSAR 2)

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

Targets

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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
CHEMBL2140 P48775 Tryptophan 2,3-dioxygenase 84.77% 98.46%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 84.18% 96.09%
CHEMBL5608 Q16288 NT-3 growth factor receptor 84.11% 95.89%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 83.35% 91.11%
CHEMBL241 Q14432 Phosphodiesterase 3A 82.95% 92.94%
CHEMBL4394 Q9NYA1 Sphingosine kinase 1 80.52% 96.03%

Plants that contains it

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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.
Senecio hydrophilus

Cross-Links

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PubChem 91749888
LOTUS LTS0167998
wikiData Q104375996