Natural Product: NPC36138

Natural Product ID:  NPC36138
Common Name:   6-Methoxykaempferol-3-O-Beta-D-6''-(P-Coumaroyl)Glucopyranoside
IUPAC Name:   [(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Synonyms:  
Molecular Formula:   C31H28O14
Standard InCHIKey:  QSWRVQDERAITMT-OXJVYKMDSA-N
Standard InCHI:  InChI=1S/C31H28O14/c1-41-29-18(34)12-19-22(24(29)37)25(38)30(28(43-19)15-5-9-17(33)10-6-15)45-31-27(40)26(39)23(36)20(44-31)13-42-21(35)11-4-14-2-7-16(32)8-3-14/h2-12,20,23,26-27,31-34,36-37,39-40H,13H2,1H3/b11-4+/t20-,23-,26+,27-,31+/m1/s1
Canonical SMILES:  COc1c(O)cc2c(c1O)c(=O)c(c(o2)c1ccc(cc1)O)O[C@@H]1O[C@H](COC(=O)/C=C/c2ccc(cc2)O)[C@H]([C@@H]([C@H]1O)O)O
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
NPO33486 paepalanthus geniculatus Species Eriocaulaceae Eukaryota Flowers Santana do Riacho, State Minas Gerais, Brazil PMID[22506638]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Activity = 1.279 nM 7807122

  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 NPC36138 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
0.994 High Similarity NPC470416
0.982 High Similarity NPC217520
0.982 High Similarity NPC139571
0.982 High Similarity NPC35167
0.976 High Similarity NPC472992
0.976 High Similarity NPC198324
0.976 High Similarity NPC472385
0.976 High Similarity NPC144097
0.976 High Similarity NPC472991
0.976 High Similarity NPC61904
0.9702 High Similarity NPC477895
0.9702 High Similarity NPC253521
0.9702 High Similarity NPC293626
0.9702 High Similarity NPC113836
0.9702 High Similarity NPC196127
0.9702 High Similarity NPC217387
0.9702 High Similarity NPC258044
0.9702 High Similarity NPC37668
0.9702 High Similarity NPC267680
0.9701 High Similarity NPC477848
0.9701 High Similarity NPC49344
0.9701 High Similarity NPC237435
0.9701 High Similarity NPC115760
0.9701 High Similarity NPC43211
0.9701 High Similarity NPC264735
0.9701 High Similarity NPC135277
0.9701 High Similarity NPC223426
0.9701 High Similarity NPC81042
0.9701 High Similarity NPC214621
0.9701 High Similarity NPC34267
0.9701 High Similarity NPC101191
0.9701 High Similarity NPC210094
0.9647 High Similarity NPC470447
0.9647 High Similarity NPC470445
0.9647 High Similarity NPC470446
0.9647 High Similarity NPC470449
0.9643 High Similarity NPC233994
0.9643 High Similarity NPC211532
0.9641 High Similarity NPC21666
0.9641 High Similarity NPC45522
0.9641 High Similarity NPC42773
0.9641 High Similarity NPC24043
0.9641 High Similarity NPC101026
0.9641 High Similarity NPC4390
0.9641 High Similarity NPC472993
0.9641 High Similarity NPC169977
0.9591 High Similarity NPC21359
0.9591 High Similarity NPC470455
0.9591 High Similarity NPC470451
0.9591 High Similarity NPC470717
0.9591 High Similarity NPC460984
0.9591 High Similarity NPC470713
0.9591 High Similarity NPC25946
0.9591 High Similarity NPC470720
0.9586 High Similarity NPC476623
0.9586 High Similarity NPC476621
0.9586 High Similarity NPC476620
0.9586 High Similarity NPC476622
0.9586 High Similarity NPC476618
0.9586 High Similarity NPC476619
0.9586 High Similarity NPC472387
0.9581 High Similarity NPC476405
0.9581 High Similarity NPC153755
0.9581 High Similarity NPC117260
0.9581 High Similarity NPC254540
0.9581 High Similarity NPC211594
0.9581 High Similarity NPC172807
0.9581 High Similarity NPC175107
0.9581 High Similarity NPC190003
0.9535 High Similarity NPC104910
0.9535 High Similarity NPC295625
0.9535 High Similarity NPC474093
0.9535 High Similarity NPC473554
0.9535 High Similarity NPC470719
0.9532 High Similarity NPC97119
0.9532 High Similarity NPC470718
0.9532 High Similarity NPC135831
0.9532 High Similarity NPC297503
0.9532 High Similarity NPC241781
0.9532 High Similarity NPC156785
0.9532 High Similarity NPC162394
0.9529 High Similarity NPC110941
0.9529 High Similarity NPC241423
0.9529 High Similarity NPC473682
0.9529 High Similarity NPC473571
0.9529 High Similarity NPC126784
0.9529 High Similarity NPC470444
0.9529 High Similarity NPC470443
0.9527 High Similarity NPC472380
0.9527 High Similarity NPC470949
0.9527 High Similarity NPC472384
0.9527 High Similarity NPC472382
0.9527 High Similarity NPC268533
0.9527 High Similarity NPC8573
0.9527 High Similarity NPC296018
0.9527 High Similarity NPC169733
0.9527 High Similarity NPC65563
0.9527 High Similarity NPC154741
0.9524 High Similarity NPC175230
0.9524 High Similarity NPC172033
0.9524 High Similarity NPC88560
0.9521 High Similarity NPC116864
0.9521 High Similarity NPC149011
0.9521 High Similarity NPC20505
0.9521 High Similarity NPC155763
0.9521 High Similarity NPC245014
0.9521 High Similarity NPC204937
0.9521 High Similarity NPC206123
0.9521 High Similarity NPC235260
0.9521 High Similarity NPC84265
0.9521 High Similarity NPC244776
0.9521 High Similarity NPC282987
0.948 High Similarity NPC475179
0.9477 High Similarity NPC249560
0.9477 High Similarity NPC223860
0.9477 High Similarity NPC275977
0.9474 High Similarity NPC473073
0.9474 High Similarity NPC222674
0.9474 High Similarity NPC473071
0.9471 High Similarity NPC173837
0.9471 High Similarity NPC476773
0.9471 High Similarity NPC168584
0.9467 High Similarity NPC253685
0.9464 High Similarity NPC48773
0.9464 High Similarity NPC205076
0.9464 High Similarity NPC307518
0.9461 High Similarity NPC201292
0.9461 High Similarity NPC219904
0.9461 High Similarity NPC226294
0.9461 High Similarity NPC186807
0.9461 High Similarity NPC203050
0.9461 High Similarity NPC58053
0.9461 High Similarity NPC138927
0.9461 High Similarity NPC475942
0.9461 High Similarity NPC105025
0.9461 High Similarity NPC223747
0.9461 High Similarity NPC469931
0.9461 High Similarity NPC45638
0.9461 High Similarity NPC93337
0.9461 High Similarity NPC120099
0.9461 High Similarity NPC225434
0.9422 High Similarity NPC33083
0.9419 High Similarity NPC107987
0.9419 High Similarity NPC473072
0.9415 High Similarity NPC471030
0.9412 High Similarity NPC471669
0.9412 High Similarity NPC89127
0.9408 High Similarity NPC204693
0.9405 High Similarity NPC105511
0.9405 High Similarity NPC224462
0.9405 High Similarity NPC95866
0.9401 High Similarity NPC325555
0.9401 High Similarity NPC84362
0.9401 High Similarity NPC52550
0.9401 High Similarity NPC223424
0.9401 High Similarity NPC116745
0.9401 High Similarity NPC265530
0.9401 High Similarity NPC127546
0.9401 High Similarity NPC226304
0.9401 High Similarity NPC317489
0.9401 High Similarity NPC295082
0.9401 High Similarity NPC45618
0.9401 High Similarity NPC58716
0.9401 High Similarity NPC173637
0.9401 High Similarity NPC146792
0.9368 High Similarity NPC97817
0.9368 High Similarity NPC30011
0.9368 High Similarity NPC72554
0.9364 High Similarity NPC148710
0.9353 High Similarity NPC220173
0.9353 High Similarity NPC476472
0.9353 High Similarity NPC294815
0.9353 High Similarity NPC19108
0.9353 High Similarity NPC473327
0.9353 High Similarity NPC16194
0.9349 High Similarity NPC471725
0.9349 High Similarity NPC203259
0.9349 High Similarity NPC471748
0.9349 High Similarity NPC47140
0.9349 High Similarity NPC259152
0.9349 High Similarity NPC67134
0.9349 High Similarity NPC472386
0.9349 High Similarity NPC176740
0.9349 High Similarity NPC3583
0.9349 High Similarity NPC26230
0.9349 High Similarity NPC134532
0.9349 High Similarity NPC155877
0.9349 High Similarity NPC60735
0.9349 High Similarity NPC33054
0.9345 High Similarity NPC280493
0.9341 High Similarity NPC281131
0.9341 High Similarity NPC135599
0.9341 High Similarity NPC118284
0.9341 High Similarity NPC277174
0.9341 High Similarity NPC253662
0.9341 High Similarity NPC73855
0.9341 High Similarity NPC328940
0.9341 High Similarity NPC274618
0.9341 High Similarity NPC56077
0.9341 High Similarity NPC308404

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC36138 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
0.9701 High Similarity NPD4338 Clinical (unspecified phase)
0.9349 High Similarity NPD6797 Phase 2
0.9294 High Similarity NPD7251 Discontinued
0.924 High Similarity NPD7808 Phase 3
0.9231 High Similarity NPD7054 Approved
0.9176 High Similarity NPD7472 Approved
0.9064 High Similarity NPD7074 Phase 3
0.9059 High Similarity NPD3818 Discontinued
0.9053 High Similarity NPD6166 Phase 2
0.9053 High Similarity NPD6167 Clinical (unspecified phase)
0.9053 High Similarity NPD6168 Clinical (unspecified phase)
0.881 High Similarity NPD4381 Clinical (unspecified phase)
0.8802 High Similarity NPD3817 Phase 2
0.8786 High Similarity NPD7804 Clinical (unspecified phase)
0.875 High Similarity NPD4868 Clinical (unspecified phase)
0.8743 High Similarity NPD2801 Approved
0.869 High Similarity NPD5402 Approved
0.8686 High Similarity NPD7993 Clinical (unspecified phase)
0.8639 High Similarity NPD3882 Suspended
0.8571 High Similarity NPD1934 Approved
0.8516 High Similarity NPD7879 Clinical (unspecified phase)
0.848 Intermediate Similarity NPD7075 Discontinued
0.8412 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8362 Intermediate Similarity NPD5844 Phase 1
0.8353 Intermediate Similarity NPD6801 Discontinued
0.8333 Intermediate Similarity NPD1653 Approved
0.8324 Intermediate Similarity NPD6559 Discontinued
0.8323 Intermediate Similarity NPD1512 Approved
0.8304 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8274 Intermediate Similarity NPD5403 Approved
0.8235 Intermediate Similarity NPD4380 Phase 2
0.8207 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.8204 Intermediate Similarity NPD6799 Approved
0.8204 Intermediate Similarity NPD1511 Approved
0.8202 Intermediate Similarity NPD3751 Discontinued
0.8171 Intermediate Similarity NPD5494 Approved
0.8155 Intermediate Similarity NPD5401 Approved
0.8081 Intermediate Similarity NPD7411 Suspended
0.8079 Intermediate Similarity NPD3787 Discontinued
0.8079 Intermediate Similarity NPD6232 Discontinued
0.8073 Intermediate Similarity NPD7435 Discontinued
0.8059 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.8045 Intermediate Similarity NPD7473 Discontinued
0.8043 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.8034 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.8033 Intermediate Similarity NPD8312 Approved
0.8033 Intermediate Similarity NPD8313 Approved
0.8022 Intermediate Similarity NPD7685 Pre-registration
0.8 Intermediate Similarity NPD7228 Approved
0.7989 Intermediate Similarity NPD1465 Phase 2
0.7976 Intermediate Similarity NPD6190 Approved
0.7941 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7921 Intermediate Similarity NPD7199 Phase 2
0.7919 Intermediate Similarity NPD6599 Discontinued
0.7917 Intermediate Similarity NPD6780 Approved
0.7917 Intermediate Similarity NPD6777 Approved
0.7917 Intermediate Similarity NPD6779 Approved
0.7917 Intermediate Similarity NPD6776 Approved
0.7917 Intermediate Similarity NPD6781 Approved
0.7917 Intermediate Similarity NPD6778 Approved
0.7917 Intermediate Similarity NPD6782 Approved
0.7889 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7886 Intermediate Similarity NPD7819 Suspended
0.7841 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7836 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7828 Intermediate Similarity NPD7874 Approved
0.7828 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7821 Intermediate Similarity NPD6959 Discontinued
0.7821 Intermediate Similarity NPD1247 Approved
0.7809 Intermediate Similarity NPD919 Approved
0.7809 Intermediate Similarity NPD6234 Discontinued
0.7798 Intermediate Similarity NPD1549 Phase 2
0.7778 Intermediate Similarity NPD8151 Discontinued
0.7755 Intermediate Similarity NPD7871 Phase 2
0.7755 Intermediate Similarity NPD7870 Phase 2
0.7738 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7738 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7727 Intermediate Similarity NPD37 Approved
0.7706 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7704 Intermediate Similarity NPD7696 Phase 3
0.7704 Intermediate Similarity NPD7697 Approved
0.7704 Intermediate Similarity NPD7698 Approved
0.77 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.77 Intermediate Similarity NPD7783 Phase 2
0.7697 Intermediate Similarity NPD4965 Approved
0.7697 Intermediate Similarity NPD4967 Phase 2
0.7697 Intermediate Similarity NPD4966 Approved
0.7679 Intermediate Similarity NPD2796 Approved
0.7674 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7668 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7656 Intermediate Similarity NPD6535 Approved
0.7656 Intermediate Similarity NPD6534 Approved
0.7654 Intermediate Similarity NPD3749 Approved
0.7638 Intermediate Similarity NPD7701 Phase 2
0.7637 Intermediate Similarity NPD3926 Phase 2
0.7633 Intermediate Similarity NPD7266 Discontinued
0.7619 Intermediate Similarity NPD1510 Phase 2
0.7598 Intermediate Similarity NPD7768 Phase 2
0.7584 Intermediate Similarity NPD8455 Phase 2
0.7545 Intermediate Similarity NPD230 Phase 1
0.7545 Intermediate Similarity NPD1933 Approved
0.754 Intermediate Similarity NPD7240 Approved
0.7538 Intermediate Similarity NPD7699 Phase 2
0.7538 Intermediate Similarity NPD7700 Phase 2
0.7536 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.7526 Intermediate Similarity NPD8150 Discontinued
0.7525 Intermediate Similarity NPD7801 Approved
0.75 Intermediate Similarity NPD3750 Approved
0.7487 Intermediate Similarity NPD8320 Phase 1
0.7487 Intermediate Similarity NPD8319 Approved
0.7485 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7475 Intermediate Similarity NPD6823 Phase 2
0.7471 Intermediate Similarity NPD2935 Discontinued
0.7442 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.744 Intermediate Similarity NPD447 Suspended
0.7425 Intermediate Similarity NPD6233 Phase 2
0.7413 Intermediate Similarity NPD7584 Approved
0.7399 Intermediate Similarity NPD4628 Phase 3
0.7381 Intermediate Similarity NPD1240 Approved
0.7381 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7381 Intermediate Similarity NPD1613 Approved
0.7381 Intermediate Similarity NPD943 Approved
0.7368 Intermediate Similarity NPD1551 Phase 2
0.7344 Intermediate Similarity NPD8434 Phase 2
0.7294 Intermediate Similarity NPD1607 Approved
0.7264 Intermediate Similarity NPD7680 Approved
0.7263 Intermediate Similarity NPD3226 Approved
0.7263 Intermediate Similarity NPD7458 Discontinued
0.7262 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7262 Intermediate Similarity NPD6798 Discontinued
0.7247 Intermediate Similarity NPD920 Approved
0.7245 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.7245 Intermediate Similarity NPD6213 Phase 3
0.7245 Intermediate Similarity NPD6212 Phase 3
0.7236 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7232 Intermediate Similarity NPD2532 Approved
0.7232 Intermediate Similarity NPD2534 Approved
0.7232 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7232 Intermediate Similarity NPD2533 Approved
0.7225 Intermediate Similarity NPD7549 Discontinued
0.7219 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.7217 Intermediate Similarity NPD5619 Clinical (unspecified phase)
0.7211 Intermediate Similarity NPD5953 Discontinued
0.7209 Intermediate Similarity NPD3748 Approved
0.7209 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7206 Intermediate Similarity NPD7585 Approved
0.7202 Intermediate Similarity NPD3027 Phase 3
0.7157 Intermediate Similarity NPD7583 Approved
0.7143 Intermediate Similarity NPD6844 Discontinued
0.7143 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7114 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7108 Intermediate Similarity NPD7211 Clinical (unspecified phase)
0.7105 Intermediate Similarity NPD7286 Phase 2
0.7083 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7072 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7065 Intermediate Similarity NPD5353 Approved
0.7059 Intermediate Similarity NPD2313 Discontinued
0.7045 Intermediate Similarity NPD1243 Approved
0.7041 Intermediate Similarity NPD6832 Phase 2
0.7029 Intermediate Similarity NPD2346 Discontinued
0.7022 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7011 Intermediate Similarity NPD2799 Discontinued
0.7011 Intermediate Similarity NPD7033 Discontinued
0.6995 Remote Similarity NPD7039 Approved
0.6995 Remote Similarity NPD7038 Approved
0.6984 Remote Similarity NPD5242 Approved
0.6983 Remote Similarity NPD7390 Discontinued
0.6982 Remote Similarity NPD9494 Approved
0.6968 Remote Similarity NPD8127 Discontinued
0.6964 Remote Similarity NPD1203 Approved
0.6949 Remote Similarity NPD6674 Discontinued
0.6949 Remote Similarity NPD2800 Approved
0.6949 Remote Similarity NPD1652 Phase 2
0.6941 Remote Similarity NPD4908 Phase 1
0.6936 Remote Similarity NPD6355 Discontinued
0.6936 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6932 Remote Similarity NPD2344 Approved
0.691 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6902 Remote Similarity NPD6385 Approved
0.6902 Remote Similarity NPD6386 Approved
0.6888 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6886 Remote Similarity NPD9269 Phase 2
0.6881 Remote Similarity NPD8058 Clinical (unspecified phase)
0.6881 Remote Similarity NPD8059 Phase 3
0.6878 Remote Similarity NPD5006 Approved
0.6878 Remote Similarity NPD5005 Approved
0.6872 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6866 Remote Similarity NPD4363 Phase 3
0.6866 Remote Similarity NPD4360 Phase 2
0.686 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6857 Remote Similarity NPD7097 Phase 1
0.6851 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6845 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6842 Remote Similarity NPD5710 Approved
0.6842 Remote Similarity NPD5711 Approved
0.6842 Remote Similarity NPD7229 Phase 3
0.6839 Remote Similarity NPD5124 Phase 1
0.6839 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6834 Remote Similarity NPD4287 Approved

Structure

External Identifiers

PubChem CID   70696488
ChEMBL   CHEMBL2037059
ZINC  

Physicochemical Properties

Molecular Weight:  624.15
ALogP:  -4.2136
MLogP:  3.33
XLogP:  2.013
# Rotatable Bonds:  17
Polar Surface Area:  221.9
# H-Bond Aceptor:  8
# H-Bond Donor:  7
# Rings:  5
# Heavy Atoms:  45

Download Data

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