PlantaeDB Logo
Login Sign-up

Spliceostatin F

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

Top
Internal ID 6fa29b1b-be2e-4e54-9d95-052b4c582b1f
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty amides > N-acyl amines
IUPAC Name 2-[(2S,4S,6S)-6-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-(chloromethyl)-4-hydroxyoxan-2-yl]acetic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C28H42ClNO8/c1-17(6-9-22-14-28(35,16-29)15-23(38-22)13-27(33)34)7-10-25-18(2)12-24(20(4)37-25)30-26(32)11-8-19(3)36-21(5)31/h6-9,11,18-20,22-25,35H,10,12-16H2,1-5H3,(H,30,32)(H,33,34)/b9-6+,11-8-,17-7+/t18-,19-,20+,22+,23+,24+,25-,28+/m0/s1
InChI Key NEWBYXGSZKUMLD-LYSKETOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

Top
Molecular Formula C28H42ClNO8
Molecular Weight 556.10 g/mol
Exact Mass 555.2598950 g/mol
Topological Polar Surface Area (TPSA) 131.00 Ų
XlogP 3.20

Synonyms

Top
2-[(2S,4S,6S)-6-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-(chloromethyl)-4-hydroxyoxan-2-yl]acetic acid
2-((2S,4S,6S)-6-((1E,3E)-5-((2S,3S,5R,6R)-5-(((2Z,4S)-4-(acetyloxy)-1-hydroxypent-2-en-1-ylidene)amino)-3,6-dimethyloxan-2-yl)-3-methylpenta-1,3-dien-1-yl)-4-(chloromethyl)-4-hydroxyoxan-2-yl)acetate
2-((2S,4S,6S)-6-((1E,3E)-5-((2S,3S,5R,6R)-5-(((Z,4S)-4-acetyloxypent-2-enoyl)amino)-3,6-dimethyloxan-2-yl)-3-methylpenta-1,3-dienyl)-4-(chloromethyl)-4-hydroxyoxan-2-yl)acetic acid
2-[(2S,4S,6S)-6-[(1E,3E)-5-[(2S,3S,5R,6R)-5-{[(2Z,4S)-4-(acetyloxy)-1-hydroxypent-2-en-1-ylidene]amino}-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dien-1-yl]-4-(chloromethyl)-4-hydroxyoxan-2-yl]acetate
RefChem:184989
CHEMBL3325463
SCHEMBL15692010
CHEBI:199796

2D Structure

Top
2D Structure of Spliceostatin F

3D Structure

Top

ADMET Properties (via admetSAR 2)

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

Targets

Top

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.99% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.22% 96.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 93.19% 85.14%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 92.73% 89.34%
CHEMBL2581 P07339 Cathepsin D 90.75% 98.95%
CHEMBL2413 P32246 C-C chemokine receptor type 1 90.61% 89.50%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 87.67% 96.77%
CHEMBL3776 Q14790 Caspase-8 87.36% 97.06%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 87.24% 97.14%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 86.50% 96.95%
CHEMBL3401 O75469 Pregnane X receptor 86.29% 94.73%
CHEMBL340 P08684 Cytochrome P450 3A4 85.75% 91.19%
CHEMBL3145 P42338 PI3-kinase p110-beta subunit 84.99% 98.75%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.91% 99.17%
CHEMBL3359 P21462 Formyl peptide receptor 1 84.83% 93.56%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 84.39% 96.47%
CHEMBL5028 O14672 ADAM10 84.26% 97.50%
CHEMBL221 P23219 Cyclooxygenase-1 83.58% 90.17%
CHEMBL4227 P25090 Lipoxin A4 receptor 82.14% 100.00%
CHEMBL5255 O00206 Toll-like receptor 4 82.12% 92.50%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 81.12% 95.89%
CHEMBL4618 P09960 Leukotriene A4 hydrolase 80.82% 97.86%
CHEMBL4208 P20618 Proteasome component C5 80.68% 90.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.29% 94.45%

Plants that contains it

Top
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.
There are no matching plants.

Cross-Links

Top
PubChem 90136700
LOTUS LTS0091875
wikiData Q75067851