Natural Product: NPC473664

Natural Product ID:  NPC473664
Common Name:   2-[3,4-Dimethoxy-2,6-Bis(3-Methylbut-2-Enyl)Phenyl]-3,5,7-Trimethoxy-8-(3-Methylbut-2-Enyl)Chromen-4-One
IUPAC Name:   2-[3,4-dimethoxy-2,6-bis(3-methylbut-2-enyl)phenyl]-3,5,7-trimethoxy-8-(3-methylbut-2-enyl)chromen-4-one
Synonyms:  
Molecular Formula:   C35H44O7
Standard InCHIKey:  LTEKIAJZJSEKRE-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C35H44O7/c1-20(2)12-15-23-18-28(39-9)32(40-10)25(17-14-22(5)6)29(23)34-35(41-11)31(36)30-27(38-8)19-26(37-7)24(33(30)42-34)16-13-21(3)4/h12-14,18-19H,15-17H2,1-11H3
Canonical SMILES:  COc1c(OC)cc(c(c1CC=C(C)C)c1oc2c(CC=C(C)C)c(OC)cc(c2c(=O)c1OC)OC)CC=C(C)C
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
NPO27127 Petalostemum purpureum NA NA NA PMID[8289060]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT19 Organism Escherichia coli Escherichia coli MIC = 5 ug/ml 18298075
NPT86 Organism Mycobacterium intracellulare Mycobacterium intracellulare MIC = 25 ug/ml 12027740
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC = 5 ug/ml 21142180
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 12.5 ug/ml 23738539
NPT20 Organism Candida albicans Candida albicans MIC = 25 ug/ml 14518939
NPT85 Organism Filobasidiella neoformans Cryptococcus neoformans MIC = 5 ug/ml 17875999

  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 NPC473664 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
0.9542 High Similarity NPC475144
0.9388 High Similarity NPC310259
0.9351 High Similarity NPC474239
0.9324 High Similarity NPC299923
0.9247 High Similarity NPC29536
0.9231 High Similarity NPC474240
0.9216 High Similarity NPC475799
0.9216 High Similarity NPC13779
0.92 High Similarity NPC181250
0.92 High Similarity NPC69752
0.9184 High Similarity NPC9966
0.9184 High Similarity NPC70853
0.9172 High Similarity NPC475888
0.9161 High Similarity NPC299436
0.9156 High Similarity NPC273843
0.9139 High Similarity NPC259058
0.9139 High Similarity NPC201547
0.9133 High Similarity NPC476342
0.9133 High Similarity NPC261548
0.9122 High Similarity NPC113089
0.9103 High Similarity NPC475883
0.9103 High Similarity NPC474351
0.9079 High Similarity NPC472535
0.9079 High Similarity NPC474388
0.9079 High Similarity NPC76376
0.9079 High Similarity NPC474170
0.9079 High Similarity NPC236769
0.9067 High Similarity NPC117463
0.906 High Similarity NPC471590
0.906 High Similarity NPC136278
0.9054 High Similarity NPC476054
0.9045 High Similarity NPC201800
0.9045 High Similarity NPC211107
0.9038 High Similarity NPC474287
0.9038 High Similarity NPC246478
0.9038 High Similarity NPC475886
0.9032 High Similarity NPC165977
0.9032 High Similarity NPC217677
0.9026 High Similarity NPC80534
0.9026 High Similarity NPC56786
0.9026 High Similarity NPC133392
0.902 High Similarity NPC471982
0.902 High Similarity NPC40033
0.9013 High Similarity NPC189270
0.9013 High Similarity NPC5840
0.9013 High Similarity NPC50728
0.9013 High Similarity NPC219330
0.9013 High Similarity NPC177839
0.9013 High Similarity NPC166753
0.9007 High Similarity NPC476058
0.9 High Similarity NPC302408
0.9 High Similarity NPC283002
0.9 High Similarity NPC40818
0.9 High Similarity NPC215932
0.9 High Similarity NPC110639
0.9 High Similarity NPC106461
0.9 High Similarity NPC14958
0.8993 High Similarity NPC189650
0.8981 High Similarity NPC278052
0.8981 High Similarity NPC474187
0.8981 High Similarity NPC66288
0.8981 High Similarity NPC40491
0.8981 High Similarity NPC474186
0.8968 High Similarity NPC257277
0.8961 High Similarity NPC179126
0.8961 High Similarity NPC270620
0.8961 High Similarity NPC246204
0.8961 High Similarity NPC162351
0.8961 High Similarity NPC78326
0.8961 High Similarity NPC58382
0.8961 High Similarity NPC472408
0.8961 High Similarity NPC236223
0.8954 High Similarity NPC205046
0.8954 High Similarity NPC304295
0.8954 High Similarity NPC59162
0.8947 High Similarity NPC159103
0.894 High Similarity NPC205522
0.894 High Similarity NPC259632
0.894 High Similarity NPC85233
0.894 High Similarity NPC474999
0.894 High Similarity NPC470511
0.894 High Similarity NPC62536
0.894 High Similarity NPC33265
0.8933 High Similarity NPC165512
0.8924 High Similarity NPC229632
0.8924 High Similarity NPC302741
0.8917 High Similarity NPC56085
0.8917 High Similarity NPC36217
0.8917 High Similarity NPC14353
0.8917 High Similarity NPC320359
0.8917 High Similarity NPC228785
0.8917 High Similarity NPC477164
0.8903 High Similarity NPC284353
0.8903 High Similarity NPC471746
0.8903 High Similarity NPC189960
0.8903 High Similarity NPC34725
0.8903 High Similarity NPC241774
0.8903 High Similarity NPC32557
0.8903 High Similarity NPC276059
0.8903 High Similarity NPC226025
0.8903 High Similarity NPC122623
0.8896 High Similarity NPC157784
0.8896 High Similarity NPC82325
0.8896 High Similarity NPC63187
0.8896 High Similarity NPC134677
0.8896 High Similarity NPC37684
0.8896 High Similarity NPC279989
0.8896 High Similarity NPC123886
0.8896 High Similarity NPC166201
0.8882 High Similarity NPC195202
0.8882 High Similarity NPC10304
0.8882 High Similarity NPC63256
0.8875 High Similarity NPC39091
0.8875 High Similarity NPC470462
0.8868 High Similarity NPC186686
0.8868 High Similarity NPC7483
0.8868 High Similarity NPC270837
0.8868 High Similarity NPC236132
0.8868 High Similarity NPC470459
0.8867 High Similarity NPC23955
0.8867 High Similarity NPC293201
0.8861 High Similarity NPC61010
0.8859 High Similarity NPC185607
0.8854 High Similarity NPC210459
0.8854 High Similarity NPC280680
0.8854 High Similarity NPC100123
0.8846 High Similarity NPC265511
0.8846 High Similarity NPC178854
0.8846 High Similarity NPC248299
0.8846 High Similarity NPC470328
0.8846 High Similarity NPC200388
0.8846 High Similarity NPC3980
0.8846 High Similarity NPC472626
0.8846 High Similarity NPC100916
0.8846 High Similarity NPC474983
0.8846 High Similarity NPC55619
0.8846 High Similarity NPC209614
0.8839 High Similarity NPC86485
0.8839 High Similarity NPC279930
0.8839 High Similarity NPC476631
0.8839 High Similarity NPC128961
0.8831 High Similarity NPC54394
0.8831 High Similarity NPC200740
0.8831 High Similarity NPC28274
0.8831 High Similarity NPC50403
0.8831 High Similarity NPC133953
0.8831 High Similarity NPC125062
0.8831 High Similarity NPC474414
0.8831 High Similarity NPC252933
0.8824 High Similarity NPC177298
0.8824 High Similarity NPC238366
0.8824 High Similarity NPC328119
0.8824 High Similarity NPC48479
0.882 High Similarity NPC218226
0.882 High Similarity NPC470456
0.882 High Similarity NPC158761
0.882 High Similarity NPC150131
0.8816 High Similarity NPC12200
0.8812 High Similarity NPC275780
0.8812 High Similarity NPC239752
0.8812 High Similarity NPC293319
0.8812 High Similarity NPC472450
0.8812 High Similarity NPC470457
0.8805 High Similarity NPC78332
0.8805 High Similarity NPC294965
0.8805 High Similarity NPC108767
0.8797 High Similarity NPC321399
0.8797 High Similarity NPC282009
0.8797 High Similarity NPC470326
0.8797 High Similarity NPC471973
0.8797 High Similarity NPC287328
0.879 High Similarity NPC472963
0.879 High Similarity NPC472438
0.879 High Similarity NPC19097
0.879 High Similarity NPC284820
0.879 High Similarity NPC300727
0.879 High Similarity NPC203891
0.879 High Similarity NPC136674
0.879 High Similarity NPC476981
0.879 High Similarity NPC101830
0.879 High Similarity NPC471479
0.879 High Similarity NPC29841
0.879 High Similarity NPC241904
0.879 High Similarity NPC471515
0.879 High Similarity NPC78302
0.879 High Similarity NPC237418
0.879 High Similarity NPC236796
0.879 High Similarity NPC235215
0.879 High Similarity NPC110070
0.879 High Similarity NPC7973
0.879 High Similarity NPC473272
0.8782 High Similarity NPC477503
0.8782 High Similarity NPC470327
0.8782 High Similarity NPC45849
0.8782 High Similarity NPC200761
0.8782 High Similarity NPC234255
0.8776 High Similarity NPC72452
0.8776 High Similarity NPC61546
0.8774 High Similarity NPC55205
0.8774 High Similarity NPC301123

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC473664 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
0.8903 High Similarity NPD3817 Phase 2
0.8684 High Similarity NPD4378 Clinical (unspecified phase)
0.8679 High Similarity NPD5494 Approved
0.8599 High Similarity NPD7819 Suspended
0.8599 High Similarity NPD2393 Clinical (unspecified phase)
0.8599 High Similarity NPD2801 Approved
0.8535 High Similarity NPD1934 Approved
0.8509 High Similarity NPD1247 Approved
0.8506 High Similarity NPD1512 Approved
0.85 High Similarity NPD919 Approved
0.8491 Intermediate Similarity NPD3882 Suspended
0.8481 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8415 Intermediate Similarity NPD7473 Discontinued
0.84 Intermediate Similarity NPD2796 Approved
0.8377 Intermediate Similarity NPD1511 Approved
0.8354 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8354 Intermediate Similarity NPD6166 Phase 2
0.8354 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8344 Intermediate Similarity NPD6232 Discontinued
0.8333 Intermediate Similarity NPD7808 Phase 3
0.8323 Intermediate Similarity NPD7075 Discontinued
0.8302 Intermediate Similarity NPD6801 Discontinued
0.8293 Intermediate Similarity NPD3926 Phase 2
0.8258 Intermediate Similarity NPD6799 Approved
0.8204 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.8176 Intermediate Similarity NPD6599 Discontinued
0.8166 Intermediate Similarity NPD7251 Discontinued
0.8107 Intermediate Similarity NPD6797 Phase 2
0.8095 Intermediate Similarity NPD7054 Approved
0.8095 Intermediate Similarity NPD5844 Phase 1
0.8086 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.8063 Intermediate Similarity NPD4380 Phase 2
0.8061 Intermediate Similarity NPD6959 Discontinued
0.8047 Intermediate Similarity NPD7472 Approved
0.8047 Intermediate Similarity NPD7074 Phase 3
0.8036 Intermediate Similarity NPD3818 Discontinued
0.8012 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7975 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7974 Intermediate Similarity NPD3748 Approved
0.7935 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7885 Intermediate Similarity NPD1243 Approved
0.7875 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7871 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7871 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7866 Intermediate Similarity NPD5402 Approved
0.7857 Intermediate Similarity NPD1510 Phase 2
0.7821 Intermediate Similarity NPD1549 Phase 2
0.7818 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7805 Intermediate Similarity NPD1465 Phase 2
0.7791 Intermediate Similarity NPD7411 Suspended
0.7771 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7764 Intermediate Similarity NPD5403 Approved
0.7764 Intermediate Similarity NPD920 Approved
0.7751 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.775 Intermediate Similarity NPD5401 Approved
0.775 Intermediate Similarity NPD2534 Approved
0.775 Intermediate Similarity NPD2532 Approved
0.775 Intermediate Similarity NPD2533 Approved
0.7722 Intermediate Similarity NPD3750 Approved
0.7712 Intermediate Similarity NPD1240 Approved
0.7711 Intermediate Similarity NPD7768 Phase 2
0.7688 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7658 Intermediate Similarity NPD2800 Approved
0.764 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7625 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7613 Intermediate Similarity NPD1607 Approved
0.7602 Intermediate Similarity NPD2403 Approved
0.7602 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7561 Intermediate Similarity NPD3226 Approved
0.7556 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7554 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7548 Intermediate Similarity NPD1933 Approved
0.7532 Intermediate Similarity NPD2346 Discontinued
0.7532 Intermediate Similarity NPD1471 Phase 3
0.7529 Intermediate Similarity NPD7199 Phase 2
0.7516 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD3787 Discontinued
0.7469 Intermediate Similarity NPD7390 Discontinued
0.7468 Intermediate Similarity NPD6100 Approved
0.7468 Intermediate Similarity NPD2935 Discontinued
0.7468 Intermediate Similarity NPD6099 Approved
0.7468 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7456 Intermediate Similarity NPD3749 Approved
0.7444 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7443 Intermediate Similarity NPD6559 Discontinued
0.7438 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7425 Intermediate Similarity NPD37 Approved
0.7414 Intermediate Similarity NPD3751 Discontinued
0.7405 Intermediate Similarity NPD2799 Discontinued
0.7405 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7399 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.7396 Intermediate Similarity NPD4966 Approved
0.7396 Intermediate Similarity NPD4965 Approved
0.7396 Intermediate Similarity NPD4967 Phase 2
0.7389 Intermediate Similarity NPD6651 Approved
0.7372 Intermediate Similarity NPD943 Approved
0.7355 Intermediate Similarity NPD2313 Discontinued
0.7341 Intermediate Similarity NPD5242 Approved
0.7338 Intermediate Similarity NPD6832 Phase 2
0.7325 Intermediate Similarity NPD447 Suspended
0.731 Intermediate Similarity NPD6234 Discontinued
0.7303 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7297 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7283 Intermediate Similarity NPD7229 Phase 3
0.7278 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7256 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7238 Intermediate Similarity NPD8434 Phase 2
0.7235 Intermediate Similarity NPD5353 Approved
0.7226 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD2654 Approved
0.7219 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7215 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7208 Intermediate Similarity NPD2798 Approved
0.7184 Intermediate Similarity NPD5711 Approved
0.7184 Intermediate Similarity NPD5710 Approved
0.7178 Intermediate Similarity NPD4628 Phase 3
0.7178 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7175 Intermediate Similarity NPD7286 Phase 2
0.7167 Intermediate Similarity NPD8313 Approved
0.7167 Intermediate Similarity NPD8312 Approved
0.716 Intermediate Similarity NPD6386 Approved
0.716 Intermediate Similarity NPD6385 Approved
0.7152 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD4060 Phase 1
0.7152 Intermediate Similarity NPD1613 Approved
0.7143 Intermediate Similarity NPD3266 Approved
0.7143 Intermediate Similarity NPD1551 Phase 2
0.7143 Intermediate Similarity NPD3267 Approved
0.7143 Intermediate Similarity NPD8150 Discontinued
0.7133 Intermediate Similarity NPD1651 Approved
0.7119 Intermediate Similarity NPD7228 Approved
0.7114 Intermediate Similarity NPD5536 Phase 2
0.7107 Intermediate Similarity NPD6355 Discontinued
0.7107 Intermediate Similarity NPD230 Phase 1
0.7099 Intermediate Similarity NPD2344 Approved
0.7095 Intermediate Similarity NPD5953 Discontinued
0.7086 Intermediate Similarity NPD17 Approved
0.707 Intermediate Similarity NPD4625 Phase 3
0.707 Intermediate Similarity NPD3027 Phase 3
0.7068 Intermediate Similarity NPD7435 Discontinued
0.7068 Intermediate Similarity NPD7697 Approved
0.7068 Intermediate Similarity NPD7696 Phase 3
0.7068 Intermediate Similarity NPD7698 Approved
0.7066 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.7062 Intermediate Similarity NPD8151 Discontinued
0.7059 Intermediate Similarity NPD5090 Approved
0.7059 Intermediate Similarity NPD5089 Approved
0.7059 Intermediate Similarity NPD3972 Approved
0.7051 Intermediate Similarity NPD3018 Phase 2
0.7037 Intermediate Similarity NPD8285 Discontinued
0.7035 Intermediate Similarity NPD4288 Approved
0.7031 Intermediate Similarity NPD7871 Phase 2
0.7031 Intermediate Similarity NPD7870 Phase 2
0.703 Intermediate Similarity NPD3887 Approved
0.7029 Intermediate Similarity NPD8127 Discontinued
0.7025 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD6798 Discontinued
0.7025 Intermediate Similarity NPD3268 Approved
0.7022 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7011 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD3688 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD3146 Approved
0.7005 Intermediate Similarity NPD4363 Phase 3
0.7005 Intermediate Similarity NPD4360 Phase 2
0.7 Intermediate Similarity NPD6780 Approved
0.7 Intermediate Similarity NPD6779 Approved
0.7 Intermediate Similarity NPD6778 Approved
0.7 Intermediate Similarity NPD6777 Approved
0.7 Intermediate Similarity NPD6782 Approved
0.7 Intermediate Similarity NPD6776 Approved
0.7 Intermediate Similarity NPD6781 Approved
0.6994 Remote Similarity NPD2353 Approved
0.6994 Remote Similarity NPD2355 Clinical (unspecified phase)
0.6981 Remote Similarity NPD8032 Phase 2
0.6977 Remote Similarity NPD4585 Approved
0.697 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6968 Remote Similarity NPD1876 Approved
0.6962 Remote Similarity NPD7095 Approved
0.6961 Remote Similarity NPD7240 Approved
0.6959 Remote Similarity NPD5283 Phase 1
0.6948 Remote Similarity NPD1608 Approved
0.6948 Remote Similarity NPD2981 Phase 2
0.6941 Remote Similarity NPD7458 Discontinued
0.6941 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6939 Remote Similarity NPD7874 Approved
0.6939 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6937 Remote Similarity NPD2979 Phase 3
0.6937 Remote Similarity NPD4307 Phase 2
0.6936 Remote Similarity NPD5978 Approved
0.6936 Remote Similarity NPD5977 Approved
0.6933 Remote Similarity NPD2438 Suspended
0.6928 Remote Similarity NPD2309 Approved
0.6928 Remote Similarity NPD6190 Approved
0.6927 Remote Similarity NPD5005 Approved
0.6927 Remote Similarity NPD5006 Approved
0.6923 Remote Similarity NPD2797 Approved
0.6923 Remote Similarity NPD7701 Phase 2
0.6918 Remote Similarity NPD1296 Phase 2

Structure

External Identifiers

PubChem CID   44584417
ChEMBL   CHEMBL448520
ZINC  

Physicochemical Properties

Molecular Weight:  576.31
ALogP:  4.5295
MLogP:  4.54
XLogP:  7.541
# Rotatable Bonds:  23
Polar Surface Area:  72.45
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  42

Download Data

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