Natural Product: NPC132243

Natural Product ID:  NPC132243
Common Name:   1,5,8-Trimethylazuleno[6,5-B]Furan-2,6-Dione
IUPAC Name:   1,5,8-trimethylazuleno[6,5-b]furan-2,6-dione
Synonyms:  
Molecular Formula:   C15H12O3
Standard InCHIKey:  VNKUJZXHKKCWCV-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C15H12O3/c1-7-4-12(16)14-8(2)5-13-11(6-10(7)14)9(3)15(17)18-13/h4-6H,1-3H3
Canonical SMILES:  CC1=CC(=O)c2c1cc1c(cc2C)oc(=O)c1C
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO4619 Artemisia gilvescens Species Asteraceae Eukaryota PMID[12713410]
NPO26785 Taraxacum mongolicum Species Asteraceae Eukaryota TCM_Taiwan*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 1.95 ug/ml 12713410
NPT393 Cell Line HCT-116 Homo sapiens IC50 = 16000 nM 12713410

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC132243 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.9032 High Similarity NPC131174
0.7937 Intermediate Similarity NPC133600
0.7879 Intermediate Similarity NPC133904
0.7869 Intermediate Similarity NPC478117
0.75 Intermediate Similarity NPC189700
0.7424 Intermediate Similarity NPC151648
0.7377 Intermediate Similarity NPC191643
0.7313 Intermediate Similarity NPC44343
0.7313 Intermediate Similarity NPC179087
0.7313 Intermediate Similarity NPC210303
0.7302 Intermediate Similarity NPC173157
0.7286 Intermediate Similarity NPC287705
0.7273 Intermediate Similarity NPC130953
0.7273 Intermediate Similarity NPC309408
0.7206 Intermediate Similarity NPC53136
0.7206 Intermediate Similarity NPC475618
0.7206 Intermediate Similarity NPC173409
0.7188 Intermediate Similarity NPC221763
0.7188 Intermediate Similarity NPC150717
0.7167 Intermediate Similarity NPC234084
0.7164 Intermediate Similarity NPC217537
0.7143 Intermediate Similarity NPC218486
0.7143 Intermediate Similarity NPC478120
0.7143 Intermediate Similarity NPC203335
0.7123 Intermediate Similarity NPC287878
0.7121 Intermediate Similarity NPC286189
0.7105 Intermediate Similarity NPC299235
0.7101 Intermediate Similarity NPC471556
0.7101 Intermediate Similarity NPC182794
0.7101 Intermediate Similarity NPC220766
0.7077 Intermediate Similarity NPC474825
0.7059 Intermediate Similarity NPC473737
0.7015 Intermediate Similarity NPC98519
0.7 Intermediate Similarity NPC191233
0.7 Intermediate Similarity NPC248125
0.6986 Remote Similarity NPC133098
0.6974 Remote Similarity NPC68156
0.6944 Remote Similarity NPC470693
0.6933 Remote Similarity NPC478196
0.6933 Remote Similarity NPC478192
0.6933 Remote Similarity NPC478195
0.6933 Remote Similarity NPC478194
0.6933 Remote Similarity NPC478191
0.6933 Remote Similarity NPC478193
0.6923 Remote Similarity NPC86948
0.6901 Remote Similarity NPC21998
0.6901 Remote Similarity NPC225272
0.6883 Remote Similarity NPC99182
0.6857 Remote Similarity NPC476589
0.6857 Remote Similarity NPC471566
0.6857 Remote Similarity NPC470688
0.6857 Remote Similarity NPC471565
0.6812 Remote Similarity NPC474658
0.6806 Remote Similarity NPC470256
0.6806 Remote Similarity NPC474823
0.6774 Remote Similarity NPC236338
0.6769 Remote Similarity NPC25038
0.6761 Remote Similarity NPC315115
0.6712 Remote Similarity NPC232812
0.6712 Remote Similarity NPC475004
0.6711 Remote Similarity NPC329826
0.6711 Remote Similarity NPC469414
0.6667 Remote Similarity NPC245002
0.6667 Remote Similarity NPC15193
0.6667 Remote Similarity NPC270706
0.6622 Remote Similarity NPC37929
0.6622 Remote Similarity NPC64234
0.6613 Remote Similarity NPC135698
0.6582 Remote Similarity NPC63649
0.6582 Remote Similarity NPC472965
0.6582 Remote Similarity NPC264227
0.6575 Remote Similarity NPC218477
0.6575 Remote Similarity NPC477117
0.6575 Remote Similarity NPC313444
0.6571 Remote Similarity NPC475073
0.6571 Remote Similarity NPC68110
0.6571 Remote Similarity NPC155849
0.6571 Remote Similarity NPC2328
0.6557 Remote Similarity NPC128280
0.6557 Remote Similarity NPC471752
0.6538 Remote Similarity NPC316324
0.6533 Remote Similarity NPC162571
0.6533 Remote Similarity NPC84038
0.6533 Remote Similarity NPC112983
0.6528 Remote Similarity NPC37382
0.6522 Remote Similarity NPC429928
0.6522 Remote Similarity NPC79756
0.6508 Remote Similarity NPC15789
0.6506 Remote Similarity NPC281172
0.65 Remote Similarity NPC302426
0.6486 Remote Similarity NPC88877
0.6486 Remote Similarity NPC476059
0.6486 Remote Similarity NPC476591
0.6486 Remote Similarity NPC473603
0.6486 Remote Similarity NPC494
0.6471 Remote Similarity NPC474084
0.6462 Remote Similarity NPC45283
0.6452 Remote Similarity NPC90490
0.6447 Remote Similarity NPC215745
0.6447 Remote Similarity NPC474705
0.6447 Remote Similarity NPC146583
0.6447 Remote Similarity NPC238948
0.6447 Remote Similarity NPC12815
0.6438 Remote Similarity NPC132286
0.6438 Remote Similarity NPC194871
0.641 Remote Similarity NPC123360
0.64 Remote Similarity NPC316029
0.64 Remote Similarity NPC315597
0.64 Remote Similarity NPC59558
0.64 Remote Similarity NPC315285
0.6393 Remote Similarity NPC26600
0.6393 Remote Similarity NPC47946
0.6364 Remote Similarity NPC117746
0.6364 Remote Similarity NPC15499
0.6364 Remote Similarity NPC159535
0.6364 Remote Similarity NPC259599
0.6364 Remote Similarity NPC294434
0.6364 Remote Similarity NPC151761
0.6364 Remote Similarity NPC470686
0.6351 Remote Similarity NPC238223
0.6349 Remote Similarity NPC82446
0.6349 Remote Similarity NPC126184
0.6341 Remote Similarity NPC268122
0.6341 Remote Similarity NPC94200
0.6338 Remote Similarity NPC474729
0.6338 Remote Similarity NPC322457
0.6338 Remote Similarity NPC474723
0.6338 Remote Similarity NPC474774
0.6329 Remote Similarity NPC471225
0.6329 Remote Similarity NPC473825
0.6329 Remote Similarity NPC10572
0.6329 Remote Similarity NPC180290
0.6329 Remote Similarity NPC54996
0.6329 Remote Similarity NPC65603
0.6316 Remote Similarity NPC186531
0.631 Remote Similarity NPC130030
0.631 Remote Similarity NPC471185
0.631 Remote Similarity NPC474424
0.631 Remote Similarity NPC78089
0.6308 Remote Similarity NPC151919
0.6301 Remote Similarity NPC469446
0.629 Remote Similarity NPC100380
0.629 Remote Similarity NPC197467
0.6282 Remote Similarity NPC138408
0.6282 Remote Similarity NPC226669
0.6282 Remote Similarity NPC193351
0.6267 Remote Similarity NPC265574
0.6267 Remote Similarity NPC236208
0.6267 Remote Similarity NPC473277
0.6265 Remote Similarity NPC118423
0.625 Remote Similarity NPC27264
0.6235 Remote Similarity NPC291712
0.6235 Remote Similarity NPC469861
0.6235 Remote Similarity NPC107787
0.6235 Remote Similarity NPC469860
0.6235 Remote Similarity NPC130436
0.6234 Remote Similarity NPC276336
0.622 Remote Similarity NPC10276
0.622 Remote Similarity NPC42470
0.622 Remote Similarity NPC35089
0.6216 Remote Similarity NPC470442
0.6207 Remote Similarity NPC95364
0.6207 Remote Similarity NPC200147
0.6207 Remote Similarity NPC142159
0.6203 Remote Similarity NPC4492
0.6203 Remote Similarity NPC238554
0.6203 Remote Similarity NPC225022
0.6203 Remote Similarity NPC51391
0.6203 Remote Similarity NPC27205
0.6197 Remote Similarity NPC68044
0.619 Remote Similarity NPC115786
0.6184 Remote Similarity NPC67183
0.6173 Remote Similarity NPC178277
0.6173 Remote Similarity NPC271632
0.6173 Remote Similarity NPC471299
0.6164 Remote Similarity NPC470123
0.6164 Remote Similarity NPC475110
0.6164 Remote Similarity NPC282760
0.6154 Remote Similarity NPC114727
0.6154 Remote Similarity NPC148056
0.6154 Remote Similarity NPC474758
0.6154 Remote Similarity NPC476355
0.6154 Remote Similarity NPC177030
0.6154 Remote Similarity NPC476590
0.6145 Remote Similarity NPC173609
0.6145 Remote Similarity NPC474028
0.6145 Remote Similarity NPC474439
0.6143 Remote Similarity NPC478095
0.6133 Remote Similarity NPC276290
0.6133 Remote Similarity NPC79220
0.6125 Remote Similarity NPC57744
0.6125 Remote Similarity NPC24827
0.6125 Remote Similarity NPC195785
0.6125 Remote Similarity NPC15975
0.6125 Remote Similarity NPC228902
0.6119 Remote Similarity NPC9611
0.6119 Remote Similarity NPC151923
0.6119 Remote Similarity NPC322461
0.6111 Remote Similarity NPC190049
0.6104 Remote Similarity NPC163003

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC132243 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.6406 Remote Similarity NPD6927 Phase 3
0.6145 Remote Similarity NPD5209 Approved
0.6125 Remote Similarity NPD4756 Discovery
0.6094 Remote Similarity NPD4220 Pre-registration
0.5733 Remote Similarity NPD2685 Clinical (unspecified phase)
0.5652 Remote Similarity NPD539 Approved
0.5634 Remote Similarity NPD8779 Phase 3
0.56 Remote Similarity NPD5325 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   10220385
ChEMBL   CHEMBL509212
ZINC  

Physicochemical Properties

Molecular Weight:  240.08
ALogP:  2.183
MLogP:  2.78
XLogP:  1.416
# Rotatable Bonds:  3
Polar Surface Area:  43.37
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  18

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs