6-Methoxy-4',5,5',5',10,14-hexamethylspiro[16-oxatetracyclo[8.6.0.01,13.04,9]hexadeca-2,4(9),5,7-tetraene-15,2'-oxolane]-3'-ol

Details

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Internal ID d6e12c7f-2c62-4e5c-b623-4a85dab7434f
Taxonomy Benzenoids > Naphthalenes
IUPAC Name 6-methoxy-4',5,5',5',10,14-hexamethylspiro[16-oxatetracyclo[8.6.0.01,13.04,9]hexadeca-2,4(9),5,7-tetraene-15,2'-oxolane]-3'-ol
SMILES (Canonical) CC1C2CCC3(C2(C=CC4=C3C=CC(=C4C)OC)OC15C(C(C(O5)(C)C)C)O)C
SMILES (Isomeric) CC1C2CCC3(C2(C=CC4=C3C=CC(=C4C)OC)OC15C(C(C(O5)(C)C)C)O)C
InChI InChI=1S/C25H34O4/c1-14-17-10-13-24-18(11-12-23(24,6)19(17)8-9-20(14)27-7)15(2)25(29-24)21(26)16(3)22(4,5)28-25/h8-10,13,15-16,18,21,26H,11-12H2,1-7H3
InChI Key XANOSTKMMIEIMI-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C25H34O4
Molecular Weight 398.50 g/mol
Exact Mass 398.24570956 g/mol
Topological Polar Surface Area (TPSA) 47.90 Ų
XlogP 4.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 6-Methoxy-4',5,5',5',10,14-hexamethylspiro[16-oxatetracyclo[8.6.0.01,13.04,9]hexadeca-2,4(9),5,7-tetraene-15,2'-oxolane]-3'-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 96.59% 96.09%
CHEMBL5608 Q16288 NT-3 growth factor receptor 93.04% 95.89%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.03% 91.11%
CHEMBL3137262 O60341 LSD1/CoREST complex 88.90% 97.09%
CHEMBL4681 P42330 Aldo-keto-reductase family 1 member C3 88.56% 89.05%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 87.39% 95.56%
CHEMBL1871 P10275 Androgen Receptor 86.82% 96.43%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 86.72% 89.62%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 86.35% 97.14%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.52% 86.33%
CHEMBL1994 P08235 Mineralocorticoid receptor 85.28% 100.00%
CHEMBL241 Q14432 Phosphodiesterase 3A 85.05% 92.94%
CHEMBL1806 P11388 DNA topoisomerase II alpha 84.66% 89.00%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 82.52% 100.00%
CHEMBL3492 P49721 Proteasome Macropain subunit 81.10% 90.24%
CHEMBL253 P34972 Cannabinoid CB2 receptor 80.52% 97.25%

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 162925073
LOTUS LTS0191339
wikiData Q104200803