Lactaroviolin

Details

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Internal ID 51c89282-a465-4b77-a037-a51a7f230121
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Guaianes
IUPAC Name 4-methyl-7-prop-1-en-2-ylazulene-1-carbaldehyde
SMILES (Canonical) CC1=C2C=CC(=C2C=C(C=C1)C(=C)C)C=O
SMILES (Isomeric) CC1=C2C=CC(=C2C=C(C=C1)C(=C)C)C=O
InChI InChI=1S/C15H14O/c1-10(2)12-5-4-11(3)14-7-6-13(9-16)15(14)8-12/h4-9H,1H2,2-3H3
InChI Key PUEUPUYRYIOTKZ-UHFFFAOYSA-N
Popularity 25 references in papers

Physical and Chemical Properties

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Molecular Formula C15H14O
Molecular Weight 210.27 g/mol
Exact Mass 210.104465066 g/mol
Topological Polar Surface Area (TPSA) 17.10 Ų
XlogP 4.10

Synonyms

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85-33-6
4-methyl-7-prop-1-en-2-ylazulene-1-carbaldehyde
C37I306S05
1-Azulenecarboxaldehyde, 4-methyl-7-(1-methylethenyl)-
7-Isopropenyl-4-methyl-1-Azulenecarboxaldehyde
4-methyl-7-(prop-1-en-2-yl)azulene-1-carbaldehyde
CCRIS 3672
Lactaroviloin
UNII-C37I306S05
LACTAROVIOLIN [MI]
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Lactaroviolin

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
CHEMBL1951 P21397 Monoamine oxidase A 99.66% 91.49%
CHEMBL2581 P07339 Cathepsin D 95.57% 98.95%
CHEMBL3492 P49721 Proteasome Macropain subunit 94.85% 90.24%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.63% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 94.11% 86.33%
CHEMBL4208 P20618 Proteasome component C5 90.34% 90.00%
CHEMBL3401 O75469 Pregnane X receptor 89.80% 94.73%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 88.48% 91.11%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 88.21% 96.00%
CHEMBL260 Q16539 MAP kinase p38 alpha 86.60% 97.78%
CHEMBL3060 Q9Y345 Glycine transporter 2 83.04% 99.17%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 82.05% 93.40%
CHEMBL3194 P02766 Transthyretin 81.63% 90.71%
CHEMBL1806 P11388 DNA topoisomerase II alpha 80.73% 89.00%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 80.36% 97.21%

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 123595
LOTUS LTS0111460
wikiData Q20054531