(3Z,6Z)-3,6-Nonadien-1-ol

Details

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Internal ID 0c6ecdd5-8748-432b-8ae5-9e0d81b09594
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols
IUPAC Name (3Z,6Z)-nona-3,6-dien-1-ol
SMILES (Canonical) CCC=CCC=CCCO
SMILES (Isomeric) CC/C=C\C/C=C\CCO
InChI InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h3-4,6-7,10H,2,5,8-9H2,1H3/b4-3-,7-6-
InChI Key PICGPEBVZGCYBV-CWWKMNTPSA-N
Popularity 27 references in papers

Physical and Chemical Properties

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Molecular Formula C9H16O
Molecular Weight 140.22 g/mol
Exact Mass 140.120115130 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 2.30

Synonyms

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(3Z,6Z)-3,6-Nonadien-1-ol
(3Z,6Z)-nona-3,6-dien-1-ol
(Z,z)-3,6-nonadien-1-ol
3,6-Nonadien-1-ol, (3Z,6Z)-
3,6-Nonadien-1-ol, (Z,Z)-
3Z,6Z-Nonadien-1-ol
(Z,Z)-3,6-nonadienol
8J66AVE64W
UNII-8J66AVE64W
AI3-38505
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of (3Z,6Z)-3,6-Nonadien-1-ol

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 86.52% 96.09%
CHEMBL239 Q07869 Peroxisome proliferator-activated receptor alpha 84.55% 90.75%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.27% 99.17%
CHEMBL2581 P07339 Cathepsin D 81.73% 98.95%
CHEMBL2885 P07451 Carbonic anhydrase III 80.77% 87.45%

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.
Cucumis melo

Cross-Links

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PubChem 6434541
LOTUS LTS0138279
wikiData Q27270619