Cyclotriveratrylene

Details

• Internal ID: d91e115b-26e3-4a65-a019-99fb779ca29a
• Taxonomy: Benzenoids > Phenol ethers > Anisoles
• IUPAC Name: 5,6,12,13,19,20-hexamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene
• InChI: InChI=1S/C27H30O6/c1-28-22-10-16-7-18-12-24(30-3)26(32-5)14-20(18)9-21-15-27(33-6)25(31-4)13-19(21)8-17(16)11-23(22)29-2/h10-15H,7-9H2,1-6H3
• InChI Key: YECHEDVCXXVLIY-UHFFFAOYSA-N
• Popularity: 153 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₇H₃₀O₆
• Molecular Weight: 450.50 g/mol
• Exact Mass: 450.20423867 g/mol
• Topological Polar Surface Area (TPSA): 55.40 Ų
• XlogP: 5.60

Synonyms

• 1180-60-5
• Cycloveratril
• CYCLOVERATRYLENE
• Cycloveratryl
• N3F2J3T2ZN
• NSC-119127
• NSC-627660
• UNII-N3F2J3T2ZN
• 2,3,7,8,12,13-Hexamethoxy-10,15-dihydro-5H-tribenzo[a,d,g]cyclononene
• 5H-Tribenzo[a,d,g]cyclononene,10,15-dihydro-2,3,7,8,12,13-hexamethoxy-
• NSC627660
• 10,15-Dihydro-2,3,7,8,12,13-hexamethoxy-5H-tribenzo(a,d,g)cyclononene
• 5H-Tribenzo(a,d,g)cyclononene, 10,15-dihydro-2,3,7,8,12,13-hexamethoxy-
• 5,6,12,13,19,20-hexamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene
• 5H-Tribenzo[a,d,g]cyclononene, 10,15-dihydro-2,3,7,8,12,13-hexamethoxy-
• hexamethoxy[?]
• Spectrum_001174
• Spectrum3_001121
• Spectrum4_001963
• Spectrum5_000775
• BSPBio_002581
• KBioGR_002430
• KBioSS_001654
• SPECTRUM500123
• YSZC605
• SCHEMBL4571013
• CHEMBL1416784
• KBio2_001654
• KBio2_004222
• KBio2_006790
• KBio3_002081
• DTXSID40297912
• CCG-46970
• MFCD00054477
• NSC119127
• AKOS017343633
• SDCCGMLS-0066965.P001
• NCGC00095972-01
• NCGC00095972-02
• 5,6,12,13,19,20-hexamethoxytetracyclo[15.4.0.0^{3,8}.0^{10,15}]henicosa-1(17),3(8),4,6,10(15),11,13,18,20-nonaene
• SR-01000636633
• Q5199078
• SR-01000636633-1
• SR-01000636633-2
• BRD-K49154891-001-01-3
• BRD-K49154891-001-02-1
• 5H-Tribenzo[a,g]cyclononene, 10,15-dihydro-2,3,7,8,12,13-hexamethoxy-
• 2,3,7,8,12,13-Hexamethoxy-10,15-dihydro-5H-tribenzo[a,d,g]cyclononene #

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

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	93.62%	96.09%
CHEMBL241	Q14432	Phosphodiesterase 3A	85.87%	92.94%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.31%	86.33%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	84.45%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	81.90%	95.56%
CHEMBL4208	P20618	Proteasome component C5	81.71%	90.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	81.40%	99.17%
CHEMBL2535	P11166	Glucose transporter	80.99%	98.75%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 273730
• LOTUS: LTS0189743
• wikiData: Q5199078