Harzianumol C

Details

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Internal ID 9ac8eb8c-62bd-4709-92be-6d1f43503339
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols
IUPAC Name (2E,7R,8R,11E)-7,8-dihydroxytrideca-2,11-dien-6-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C13H22O3/c1-3-5-7-9-11(14)13(16)12(15)10-8-6-4-2/h3-6,11,13-14,16H,7-10H2,1-2H3/b5-3+,6-4+/t11-,13-/m1/s1
InChI Key GGUQIBLJJDDPJR-ZCLYFDEHSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C13H22O3
Molecular Weight 226.31 g/mol
Exact Mass 226.15689456 g/mol
Topological Polar Surface Area (TPSA) 57.50 Ų
XlogP 1.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Harzianumol C

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.97% 96.09%
CHEMBL2581 P07339 Cathepsin D 90.59% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.11% 99.17%
CHEMBL3145 P42338 PI3-kinase p110-beta subunit 81.74% 98.75%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 80.80% 100.00%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 139586989
LOTUS LTS0134222
wikiData Q77518895