(+)-Pisiferol

Details

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Internal ID 1c5506ab-d0fa-43cc-8283-7afde61646ca
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Diterpenoids
IUPAC Name 4b-(hydroxymethyl)-8,8-dimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol
SMILES (Canonical) CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C)CO)O
SMILES (Isomeric) CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C)CO)O
InChI InChI=1S/C20H30O2/c1-13(2)15-10-14-6-7-18-19(3,4)8-5-9-20(18,12-21)16(14)11-17(15)22/h10-11,13,18,21-22H,5-9,12H2,1-4H3
InChI Key NKGGFTFDYGTUSL-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H30O2
Molecular Weight 302.50 g/mol
Exact Mass 302.224580195 g/mol
Topological Polar Surface Area (TPSA) 40.50 Ų
XlogP 5.30

Synonyms

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NKGGFTFDYGTUSL-UHFFFAOYSA-N
Podocarpa-8,11,13-triene-12,17-diol, 13-isopropyl-
4a(2H)-Phenanthrenemethanol, 1,3,4,9,10,10a-hexahydro-6-hydroxy-1,1-dimethyl-7-(1-methylethyl)-, (4aR,10aS)-
4a(2H)-Phenanthrenemethanol, 1,3,4,9,10,10a-hexahydro-6-hydroxy-1,1-dimethyl-7-(1-methylethyl)-, (4aR-trans)-

2D Structure

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2D Structure of (+)-Pisiferol

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 99.21% 91.11%
CHEMBL3192 Q9BY41 Histone deacetylase 8 94.09% 93.99%
CHEMBL253 P34972 Cannabinoid CB2 receptor 93.67% 97.25%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 92.48% 94.45%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.27% 96.09%
CHEMBL2581 P07339 Cathepsin D 92.25% 98.95%
CHEMBL1937 Q92769 Histone deacetylase 2 91.77% 94.75%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 90.17% 90.71%
CHEMBL233 P35372 Mu opioid receptor 89.82% 97.93%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 89.19% 99.15%
CHEMBL5608 Q16288 NT-3 growth factor receptor 88.98% 95.89%
CHEMBL1994 P08235 Mineralocorticoid receptor 88.66% 100.00%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 88.19% 93.40%
CHEMBL3137262 O60341 LSD1/CoREST complex 86.57% 97.09%
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 86.33% 91.79%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 83.93% 95.56%
CHEMBL5203 P33316 dUTP pyrophosphatase 82.84% 99.18%
CHEMBL237 P41145 Kappa opioid receptor 82.19% 98.10%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 81.57% 82.69%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 81.56% 96.38%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 81.45% 93.04%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 80.58% 95.50%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 80.30% 92.62%

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.
Chamaecyparis formosensis
Chamaecyparis lawsoniana
Chamaecyparis pisifera
Sequoia sempervirens

Cross-Links

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PubChem 13785024
LOTUS LTS0203539
wikiData Q105180568