Natural Product: NPC94155

Natural Product ID:  NPC94155
Common Name:   Glabrachromene Ii
IUPAC Name:   (E)-3-(1,3-benzodioxol-5-yl)-1-(5-hydroxy-2,2-dimethylchromen-6-yl)prop-2-en-1-one
Synonyms:  
Molecular Formula:   C21H18O5
Standard InCHIKey:  WKEIAFLNVZWDKU-ZZXKWVIFSA-N
Standard InCHI:  InChI=1S/C21H18O5/c1-21(2)10-9-15-17(26-21)8-5-14(20(15)23)16(22)6-3-13-4-7-18-19(11-13)25-12-24-18/h3-11,23H,12H2,1-2H3/b6-3+
Canonical SMILES:  O=C(c1ccc2c(c1O)C=CC(O2)(C)C)/C=C/c1ccc2c(c1)OCO2
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
NPO30165 Pongamia pinnata Species Fabaceae Eukaryota dry stem PMID[25466192]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 6560 nM PubChem BioAssay data set

  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 NPC94155 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
0.9545 High Similarity NPC310206
0.9484 High Similarity NPC113055
0.9427 High Similarity NPC125991
0.9423 High Similarity NPC269906
0.9416 High Similarity NPC234255
0.9412 High Similarity NPC68882
0.9412 High Similarity NPC104728
0.9412 High Similarity NPC35544
0.9408 High Similarity NPC234152
0.9379 High Similarity NPC223375
0.9379 High Similarity NPC475825
0.9363 High Similarity NPC34376
0.9355 High Similarity NPC472455
0.9308 High Similarity NPC470773
0.9304 High Similarity NPC302741
0.9299 High Similarity NPC328102
0.9295 High Similarity NPC476981
0.929 High Similarity NPC472280
0.9286 High Similarity NPC237994
0.9259 High Similarity NPC235575
0.9236 High Similarity NPC184755
0.9236 High Similarity NPC204879
0.9236 High Similarity NPC215375
0.9236 High Similarity NPC74178
0.9236 High Similarity NPC62518
0.9231 High Similarity NPC155063
0.9221 High Similarity NPC154345
0.9198 High Similarity NPC212748
0.9182 High Similarity NPC18284
0.9182 High Similarity NPC273021
0.9177 High Similarity NPC476980
0.9177 High Similarity NPC472624
0.9172 High Similarity NPC167595
0.9172 High Similarity NPC52889
0.9172 High Similarity NPC218313
0.9172 High Similarity NPC474681
0.9172 High Similarity NPC284820
0.9172 High Similarity NPC473272
0.9167 High Similarity NPC168247
0.9167 High Similarity NPC117992
0.9167 High Similarity NPC284353
0.9167 High Similarity NPC230149
0.9167 High Similarity NPC152951
0.9167 High Similarity NPC57674
0.9167 High Similarity NPC256925
0.9161 High Similarity NPC471982
0.915 High Similarity NPC195202
0.9145 High Similarity NPC88345
0.9136 High Similarity NPC211309
0.9136 High Similarity NPC471287
0.9125 High Similarity NPC470772
0.9125 High Similarity NPC124038
0.9119 High Similarity NPC162668
0.9119 High Similarity NPC295009
0.9119 High Similarity NPC260640
0.9119 High Similarity NPC470756
0.9108 High Similarity NPC133970
0.9108 High Similarity NPC6633
0.9108 High Similarity NPC5322
0.9108 High Similarity NPC282307
0.9108 High Similarity NPC170026
0.9108 High Similarity NPC471985
0.9103 High Similarity NPC475895
0.9103 High Similarity NPC279930
0.9103 High Similarity NPC273462
0.9103 High Similarity NPC227337
0.9103 High Similarity NPC33051
0.9103 High Similarity NPC49402
0.9103 High Similarity NPC70433
0.9097 High Similarity NPC308451
0.9097 High Similarity NPC256406
0.9097 High Similarity NPC318424
0.9091 High Similarity NPC156635
0.9085 High Similarity NPC12200
0.9085 High Similarity NPC33265
0.9085 High Similarity NPC62536
0.9079 High Similarity NPC296575
0.9074 High Similarity NPC76482
0.9074 High Similarity NPC229729
0.9068 High Similarity NPC300053
0.9068 High Similarity NPC108433
0.9062 High Similarity NPC472448
0.9062 High Similarity NPC81679
0.9062 High Similarity NPC469575
0.9062 High Similarity NPC472635
0.9062 High Similarity NPC83922
0.9057 High Similarity NPC118256
0.9057 High Similarity NPC475784
0.9057 High Similarity NPC225624
0.9057 High Similarity NPC119209
0.9057 High Similarity NPC285973
0.9057 High Similarity NPC192686
0.9051 High Similarity NPC27337
0.9051 High Similarity NPC78071
0.9051 High Similarity NPC291508
0.9045 High Similarity NPC200246
0.9045 High Similarity NPC226025
0.9045 High Similarity NPC478238
0.9038 High Similarity NPC31627
0.9038 High Similarity NPC60972
0.9038 High Similarity NPC476238
0.9038 High Similarity NPC327269
0.9038 High Similarity NPC285623
0.9038 High Similarity NPC39732
0.9038 High Similarity NPC292460
0.9036 High Similarity NPC67302
0.9032 High Similarity NPC189270
0.9032 High Similarity NPC88804
0.9032 High Similarity NPC5840
0.9032 High Similarity NPC50728
0.9032 High Similarity NPC166753
0.9032 High Similarity NPC3825
0.903 High Similarity NPC472607
0.9024 High Similarity NPC256760
0.9024 High Similarity NPC261254
0.902 High Similarity NPC12377
0.9018 High Similarity NPC288813
0.9012 High Similarity NPC119589
0.9012 High Similarity NPC235610
0.9012 High Similarity NPC113093
0.9012 High Similarity NPC254306
0.9006 High Similarity NPC309025
0.9006 High Similarity NPC470178
0.9006 High Similarity NPC243930
0.9006 High Similarity NPC88023
0.9 High Similarity NPC259456
0.9 High Similarity NPC57715
0.9 High Similarity NPC471290
0.9 High Similarity NPC234644
0.9 High Similarity NPC258331
0.9 High Similarity NPC29876
0.9 High Similarity NPC474038
0.9 High Similarity NPC167678
0.8994 High Similarity NPC187792
0.8987 High Similarity NPC291878
0.8987 High Similarity NPC195796
0.8987 High Similarity NPC470600
0.8987 High Similarity NPC35038
0.8987 High Similarity NPC278778
0.8981 High Similarity NPC168805
0.8981 High Similarity NPC244371
0.8981 High Similarity NPC121910
0.8981 High Similarity NPC478213
0.8981 High Similarity NPC170492
0.8981 High Similarity NPC280937
0.8981 High Similarity NPC189130
0.8974 High Similarity NPC471675
0.8974 High Similarity NPC236769
0.8974 High Similarity NPC226973
0.8974 High Similarity NPC208043
0.8974 High Similarity NPC472580
0.897 High Similarity NPC208668
0.8968 High Similarity NPC223579
0.8968 High Similarity NPC287101
0.8968 High Similarity NPC328119
0.8968 High Similarity NPC38545
0.8968 High Similarity NPC171916
0.8968 High Similarity NPC48479
0.8968 High Similarity NPC177298
0.8968 High Similarity NPC52005
0.8968 High Similarity NPC137062
0.8968 High Similarity NPC183950
0.8968 High Similarity NPC159103
0.8963 High Similarity NPC231194
0.8963 High Similarity NPC150767
0.8963 High Similarity NPC78734
0.8963 High Similarity NPC105511
0.8963 High Similarity NPC51326
0.8957 High Similarity NPC477502
0.8957 High Similarity NPC471288
0.8954 High Similarity NPC234629
0.8954 High Similarity NPC224687
0.8954 High Similarity NPC311741
0.8954 High Similarity NPC471590
0.8951 High Similarity NPC311830
0.8951 High Similarity NPC22832
0.8951 High Similarity NPC303174
0.8951 High Similarity NPC165720
0.8951 High Similarity NPC472277
0.8947 High Similarity NPC226636
0.8947 High Similarity NPC11561
0.8947 High Similarity NPC119663
0.8944 High Similarity NPC300537
0.8944 High Similarity NPC474033
0.8944 High Similarity NPC127782
0.8944 High Similarity NPC474034
0.8944 High Similarity NPC93215
0.8944 High Similarity NPC474162
0.8944 High Similarity NPC474150
0.8944 High Similarity NPC229632
0.8944 High Similarity NPC261470
0.8938 High Similarity NPC188433
0.8938 High Similarity NPC28241
0.8938 High Similarity NPC204290
0.8938 High Similarity NPC474960
0.8938 High Similarity NPC476283
0.8938 High Similarity NPC471973
0.8931 High Similarity NPC180011
0.8931 High Similarity NPC219867
0.8931 High Similarity NPC210048

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC94155 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
0.9193 High Similarity NPD3818 Discontinued
0.8868 High Similarity NPD3882 Suspended
0.8861 High Similarity NPD2801 Approved
0.8861 High Similarity NPD2393 Clinical (unspecified phase)
0.8797 High Similarity NPD1934 Approved
0.8788 High Similarity NPD7054 Approved
0.8735 High Similarity NPD7074 Phase 3
0.8735 High Similarity NPD7472 Approved
0.871 High Similarity NPD4378 Clinical (unspecified phase)
0.8696 High Similarity NPD4381 Clinical (unspecified phase)
0.8645 High Similarity NPD1511 Approved
0.8599 High Similarity NPD6980 Clinical (unspecified phase)
0.859 High Similarity NPD7410 Clinical (unspecified phase)
0.8589 High Similarity NPD5494 Approved
0.858 High Similarity NPD7808 Phase 3
0.8571 High Similarity NPD6797 Phase 2
0.8571 High Similarity NPD3817 Phase 2
0.8535 High Similarity NPD1512 Approved
0.8521 High Similarity NPD7251 Discontinued
0.8521 High Similarity NPD6559 Discontinued
0.8471 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8466 Intermediate Similarity NPD7075 Discontinued
0.8452 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.8438 Intermediate Similarity NPD4380 Phase 2
0.8415 Intermediate Similarity NPD919 Approved
0.8395 Intermediate Similarity NPD7819 Suspended
0.8395 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8383 Intermediate Similarity NPD6166 Phase 2
0.8383 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8383 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8373 Intermediate Similarity NPD6232 Discontinued
0.8366 Intermediate Similarity NPD1510 Phase 2
0.8333 Intermediate Similarity NPD7473 Discontinued
0.8333 Intermediate Similarity NPD6801 Discontinued
0.8323 Intermediate Similarity NPD1549 Phase 2
0.8312 Intermediate Similarity NPD2796 Approved
0.8291 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.8272 Intermediate Similarity NPD7411 Suspended
0.8258 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.8258 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.8224 Intermediate Similarity NPD1240 Approved
0.8204 Intermediate Similarity NPD1247 Approved
0.8182 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8176 Intermediate Similarity NPD6799 Approved
0.8129 Intermediate Similarity NPD5844 Phase 1
0.8121 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.8117 Intermediate Similarity NPD1607 Approved
0.8107 Intermediate Similarity NPD3926 Phase 2
0.8095 Intermediate Similarity NPD7199 Phase 2
0.8038 Intermediate Similarity NPD1243 Approved
0.8024 Intermediate Similarity NPD3749 Approved
0.8 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7988 Intermediate Similarity NPD6599 Discontinued
0.7987 Intermediate Similarity NPD3750 Approved
0.7975 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7964 Intermediate Similarity NPD7768 Phase 2
0.7962 Intermediate Similarity NPD2935 Discontinued
0.7953 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7935 Intermediate Similarity NPD1933 Approved
0.7925 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7925 Intermediate Similarity NPD2800 Approved
0.7914 Intermediate Similarity NPD920 Approved
0.7901 Intermediate Similarity NPD2532 Approved
0.7901 Intermediate Similarity NPD2534 Approved
0.7901 Intermediate Similarity NPD2533 Approved
0.7892 Intermediate Similarity NPD37 Approved
0.7888 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7882 Intermediate Similarity NPD6959 Discontinued
0.7875 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7871 Intermediate Similarity NPD943 Approved
0.787 Intermediate Similarity NPD6234 Discontinued
0.7857 Intermediate Similarity NPD4966 Approved
0.7857 Intermediate Similarity NPD4967 Phase 2
0.7857 Intermediate Similarity NPD4965 Approved
0.7844 Intermediate Similarity NPD1465 Phase 2
0.7805 Intermediate Similarity NPD5403 Approved
0.7798 Intermediate Similarity NPD5402 Approved
0.7791 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.774 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7736 Intermediate Similarity NPD1551 Phase 2
0.7727 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7709 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7707 Intermediate Similarity NPD447 Suspended
0.7692 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7688 Intermediate Similarity NPD2344 Approved
0.7683 Intermediate Similarity NPD5401 Approved
0.768 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7673 Intermediate Similarity NPD3748 Approved
0.7673 Intermediate Similarity NPD2799 Discontinued
0.7651 Intermediate Similarity NPD1653 Approved
0.7628 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7628 Intermediate Similarity NPD2313 Discontinued
0.7627 Intermediate Similarity NPD5953 Discontinued
0.7605 Intermediate Similarity NPD7458 Discontinued
0.7605 Intermediate Similarity NPD3226 Approved
0.7597 Intermediate Similarity NPD2798 Approved
0.7594 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7584 Intermediate Similarity NPD7685 Pre-registration
0.7562 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7557 Intermediate Similarity NPD7228 Approved
0.7557 Intermediate Similarity NPD3751 Discontinued
0.7547 Intermediate Similarity NPD6651 Approved
0.7546 Intermediate Similarity NPD4628 Phase 3
0.7546 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7539 Intermediate Similarity NPD7584 Approved
0.7516 Intermediate Similarity NPD6099 Approved
0.7516 Intermediate Similarity NPD6100 Approved
0.7514 Intermediate Similarity NPD7286 Phase 2
0.75 Intermediate Similarity NPD2309 Approved
0.75 Intermediate Similarity NPD8312 Approved
0.75 Intermediate Similarity NPD8313 Approved
0.75 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7484 Intermediate Similarity NPD230 Phase 1
0.7469 Intermediate Similarity NPD2346 Discontinued
0.7453 Intermediate Similarity NPD7033 Discontinued
0.7436 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7429 Intermediate Similarity NPD3787 Discontinued
0.7421 Intermediate Similarity NPD1613 Approved
0.7421 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7419 Intermediate Similarity NPD1203 Approved
0.7407 Intermediate Similarity NPD6778 Approved
0.7407 Intermediate Similarity NPD6776 Approved
0.7407 Intermediate Similarity NPD6780 Approved
0.7407 Intermediate Similarity NPD6782 Approved
0.7407 Intermediate Similarity NPD6781 Approved
0.7407 Intermediate Similarity NPD6779 Approved
0.7407 Intermediate Similarity NPD6777 Approved
0.7353 Intermediate Similarity NPD7028 Phase 2
0.7346 Intermediate Similarity NPD4308 Phase 3
0.7342 Intermediate Similarity NPD3027 Phase 3
0.734 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.733 Intermediate Similarity NPD5710 Approved
0.733 Intermediate Similarity NPD5711 Approved
0.7305 Intermediate Similarity NPD7390 Discontinued
0.7296 Intermediate Similarity NPD3268 Approved
0.7296 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7292 Intermediate Similarity NPD7435 Discontinued
0.7292 Intermediate Similarity NPD7696 Phase 3
0.7292 Intermediate Similarity NPD7697 Approved
0.7292 Intermediate Similarity NPD7698 Approved
0.729 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7287 Intermediate Similarity NPD4361 Phase 2
0.7287 Intermediate Similarity NPD4362 Clinical (unspecified phase)
0.7283 Intermediate Similarity NPD8434 Phase 2
0.7282 Intermediate Similarity NPD8151 Discontinued
0.7278 Intermediate Similarity NPD6832 Phase 2
0.7254 Intermediate Similarity NPD7870 Phase 2
0.7254 Intermediate Similarity NPD7871 Phase 2
0.7239 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7233 Intermediate Similarity NPD4625 Phase 3
0.7232 Intermediate Similarity NPD7229 Phase 3
0.7226 Intermediate Similarity NPD9717 Approved
0.7215 Intermediate Similarity NPD9494 Approved
0.7198 Intermediate Similarity NPD7240 Approved
0.7197 Intermediate Similarity NPD2797 Approved
0.7191 Intermediate Similarity NPD5242 Approved
0.7188 Intermediate Similarity NPD3764 Approved
0.7186 Intermediate Similarity NPD6190 Approved
0.7182 Intermediate Similarity NPD1729 Discontinued
0.7174 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD4908 Phase 1
0.7169 Intermediate Similarity NPD2654 Approved
0.7161 Intermediate Similarity NPD422 Phase 1
0.7161 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.716 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.716 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.716 Intermediate Similarity NPD5124 Phase 1
0.716 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7151 Intermediate Similarity NPD2403 Approved
0.715 Intermediate Similarity NPD6823 Phase 2
0.7143 Intermediate Similarity NPD4360 Phase 2
0.7143 Intermediate Similarity NPD4363 Phase 3
0.7143 Intermediate Similarity NPD6534 Approved
0.7143 Intermediate Similarity NPD7701 Phase 2
0.7143 Intermediate Similarity NPD6535 Approved
0.7143 Intermediate Similarity NPD7585 Approved
0.7126 Intermediate Similarity NPD8455 Phase 2
0.7124 Intermediate Similarity NPD1548 Phase 1
0.7121 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7121 Intermediate Similarity NPD7783 Phase 2
0.7115 Intermediate Similarity NPD1608 Approved
0.7112 Intermediate Similarity NPD4287 Approved
0.7101 Intermediate Similarity NPD4357 Discontinued
0.7099 Intermediate Similarity NPD4307 Phase 2
0.7093 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7092 Intermediate Similarity NPD7583 Approved
0.7091 Intermediate Similarity NPD5405 Approved
0.7091 Intermediate Similarity NPD5404 Approved
0.7091 Intermediate Similarity NPD5408 Approved
0.7091 Intermediate Similarity NPD5406 Approved
0.7086 Intermediate Similarity NPD4288 Approved
0.7081 Intermediate Similarity NPD411 Approved
0.7071 Intermediate Similarity NPD7874 Approved
0.7071 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7062 Intermediate Similarity NPD5005 Approved
0.7062 Intermediate Similarity NPD5006 Approved
0.7059 Intermediate Similarity NPD5536 Phase 2
0.7051 Intermediate Similarity NPD1610 Phase 2
0.7048 Intermediate Similarity NPD1471 Phase 3
0.7048 Intermediate Similarity NPD2343 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   6442711
ChEMBL   CHEMBL3581071
ZINC  

Physicochemical Properties

Molecular Weight:  350.12
ALogP:  0.2421
MLogP:  3.22
XLogP:  3.955
# Rotatable Bonds:  6
Polar Surface Area:  64.99
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  26

Download Data

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