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Laevinol C

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

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Internal ID dbbac949-1cf0-4f3a-a954-b29e8a950f12
Taxonomy Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Cyclic alcohols and derivatives
IUPAC Name 1-[(1R,2R,6S,8S,8aS)-2,6-dihydroxy-8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl]ethanone
SMILES (Canonical) CC1CC(C=C2C1(C(C(CC2)O)C(=O)C)C)O
SMILES (Isomeric) C[C@H]1C[C@@H](C=C2[C@@]1([C@H]([C@@H](CC2)O)C(=O)C)C)O
InChI InChI=1S/C14H22O3/c1-8-6-11(16)7-10-4-5-12(17)13(9(2)15)14(8,10)3/h7-8,11-13,16-17H,4-6H2,1-3H3/t8-,11-,12+,13-,14+/m0/s1
InChI Key UCBOCFFXBGGPKI-WBKHQIRZSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C14H22O3
Molecular Weight 238.32 g/mol
Exact Mass 238.15689456 g/mol
Topological Polar Surface Area (TPSA) 57.50 Ų
XlogP 1.30

Synonyms

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laevinols C
CHEMBL463355
InChI=1/C14H22O3/c1-8-6-11(16)7-10-4-5-12(17)13(9(2)15)14(8,10)3/h7-8,11-13,16-17H,4-6H2,1-3H3/t8?,11-,12+,13?,14+/m0/s

2D Structure

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2D Structure of Laevinol 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 97.98% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.45% 91.11%
CHEMBL1994 P08235 Mineralocorticoid receptor 88.08% 100.00%
CHEMBL2581 P07339 Cathepsin D 87.78% 98.95%
CHEMBL253 P34972 Cannabinoid CB2 receptor 84.56% 97.25%
CHEMBL3137262 O60341 LSD1/CoREST complex 84.55% 97.09%
CHEMBL340 P08684 Cytochrome P450 3A4 83.98% 91.19%
CHEMBL1806 P11388 DNA topoisomerase II alpha 82.76% 89.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.69% 95.56%
CHEMBL241 Q14432 Phosphodiesterase 3A 81.35% 92.94%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 81.08% 95.89%

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 5326386
LOTUS LTS0074435
wikiData Q105269793