Natural Product: NPC472903

Natural Product ID:  NPC472903
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C25H32O6
Standard InCHIKey:  QCZYVJCMDOSNRL-OMCISZLKSA-N
Standard InCHI:  InChI=1S/C25H32O6/c1-16(5-4-14-25(2,3)31)6-10-19-17(8-13-22(28)24(19)30)7-12-21(27)20-11-9-18(26)15-23(20)29/h6,8-9,11,13,15,26,28-31H,4-5,7,10,12,14H2,1-3H3/b16-6+
Canonical SMILES:  C/C(=CCc1c(CCC(=O)c2ccc(cc2O)O)ccc(c1O)O)/CCCC(O)(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
NPO33150 Artocarpus communis Species Moraceae Eukaryota PMID[26178912]
NPO28799 Hyptis suaveolens Species Lamiaceae Eukaryota PMID[26178912]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 > 75000 nM 8201311
NPT2 Others Unspecified IC50 > 75000 nM 19128055
NPT2 Others Unspecified IC50 > 75000 nM 24751444

  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 NPC472903 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
0.9851 High Similarity NPC472904
0.9848 High Similarity NPC290030
0.9478 High Similarity NPC194764
0.9478 High Similarity NPC264112
0.9478 High Similarity NPC65005
0.9323 High Similarity NPC135801
0.9318 High Similarity NPC244441
0.9318 High Similarity NPC233056
0.9318 High Similarity NPC259942
0.9318 High Similarity NPC26697
0.9248 High Similarity NPC469526
0.9248 High Similarity NPC34070
0.9242 High Similarity NPC92624
0.9203 High Similarity NPC203063
0.9191 High Similarity NPC223836
0.9185 High Similarity NPC166480
0.9185 High Similarity NPC282780
0.9034 High Similarity NPC35
0.9015 High Similarity NPC473691
0.9007 High Similarity NPC238629
0.8966 High Similarity NPC85131
0.8955 High Similarity NPC474998
0.8947 High Similarity NPC107672
0.8939 High Similarity NPC477454
0.8936 High Similarity NPC291078
0.8921 High Similarity NPC175552
0.8919 High Similarity NPC472907
0.8913 High Similarity NPC191976
0.8912 High Similarity NPC472905
0.8889 High Similarity NPC247477
0.8889 High Similarity NPC17840
0.8881 High Similarity NPC21305
0.8873 High Similarity NPC471417
0.8872 High Similarity NPC8745
0.8864 High Similarity NPC13238
0.8859 High Similarity NPC472963
0.8857 High Similarity NPC138099
0.8857 High Similarity NPC242994
0.8841 High Similarity NPC72918
0.8815 High Similarity NPC109123
0.8806 High Similarity NPC23126
0.8806 High Similarity NPC72158
0.8806 High Similarity NPC162612
0.8806 High Similarity NPC266689
0.8806 High Similarity NPC169250
0.8806 High Similarity NPC190043
0.8806 High Similarity NPC103356
0.8806 High Similarity NPC116513
0.8806 High Similarity NPC100067
0.8806 High Similarity NPC30501
0.8806 High Similarity NPC105157
0.8806 High Similarity NPC98254
0.8803 High Similarity NPC301178
0.8803 High Similarity NPC284556
0.8797 High Similarity NPC10926
0.8794 High Similarity NPC169452
0.8794 High Similarity NPC181560
0.8786 High Similarity NPC61398
0.8786 High Similarity NPC416
0.8786 High Similarity NPC123714
0.8777 High Similarity NPC118919
0.8768 High Similarity NPC44437
0.8759 High Similarity NPC175738
0.8741 High Similarity NPC254659
0.8741 High Similarity NPC221777
0.8741 High Similarity NPC473017
0.8741 High Similarity NPC287722
0.8731 High Similarity NPC62952
0.8731 High Similarity NPC267846
0.8714 High Similarity NPC53206
0.8714 High Similarity NPC53414
0.8714 High Similarity NPC170742
0.8714 High Similarity NPC471905
0.8712 High Similarity NPC133909
0.8712 High Similarity NPC32032
0.8707 High Similarity NPC48949
0.8696 High Similarity NPC267205
0.8696 High Similarity NPC294226
0.8681 High Similarity NPC142165
0.8671 High Similarity NPC193555
0.8671 High Similarity NPC49108
0.8667 High Similarity NPC24640
0.8658 High Similarity NPC93552
0.8649 High Similarity NPC154345
0.8643 High Similarity NPC254847
0.8639 High Similarity NPC38545
0.8639 High Similarity NPC171916
0.8636 High Similarity NPC242895
0.8636 High Similarity NPC224273
0.8636 High Similarity NPC156139
0.8636 High Similarity NPC115159
0.8636 High Similarity NPC19174
0.8636 High Similarity NPC143427
0.8636 High Similarity NPC73532
0.8636 High Similarity NPC45438
0.8636 High Similarity NPC196976
0.8636 High Similarity NPC267552
0.8627 High Similarity NPC472964
0.8618 High Similarity NPC472902
0.8618 High Similarity NPC474960
0.8613 High Similarity NPC117609
0.8611 High Similarity NPC119663
0.8609 High Similarity NPC136674
0.8609 High Similarity NPC273843
0.86 High Similarity NPC38898
0.86 High Similarity NPC67396
0.8591 High Similarity NPC149889
0.8591 High Similarity NPC237994
0.8591 High Similarity NPC312338
0.8591 High Similarity NPC474993
0.8582 High Similarity NPC53001
0.8582 High Similarity NPC147418
0.8581 High Similarity NPC472279
0.8581 High Similarity NPC280295
0.8571 High Similarity NPC254702
0.8571 High Similarity NPC80710
0.8571 High Similarity NPC129752
0.8571 High Similarity NPC203077
0.8571 High Similarity NPC194653
0.8571 High Similarity NPC139364
0.8571 High Similarity NPC238279
0.8571 High Similarity NPC258502
0.8571 High Similarity NPC471907
0.8571 High Similarity NPC203747
0.8571 High Similarity NPC166036
0.8562 High Similarity NPC138978
0.8562 High Similarity NPC472906
0.8561 High Similarity NPC213485
0.8561 High Similarity NPC180261
0.8561 High Similarity NPC37299
0.8561 High Similarity NPC248363
0.8561 High Similarity NPC149246
0.8561 High Similarity NPC40524
0.8561 High Similarity NPC297186
0.8561 High Similarity NPC139074
0.8553 High Similarity NPC210459
0.8552 High Similarity NPC38065
0.8552 High Similarity NPC244691
0.8552 High Similarity NPC242893
0.8552 High Similarity NPC207732
0.8552 High Similarity NPC257025
0.8552 High Similarity NPC105213
0.8551 High Similarity NPC475042
0.8543 High Similarity NPC13779
0.8543 High Similarity NPC475799
0.8542 High Similarity NPC135524
0.8542 High Similarity NPC474961
0.8542 High Similarity NPC137649
0.8533 High Similarity NPC107109
0.8533 High Similarity NPC89474
0.8529 High Similarity NPC156539
0.8523 High Similarity NPC256406
0.8521 High Similarity NPC87723
0.8519 High Similarity NPC475733
0.8519 High Similarity NPC262671
0.8519 High Similarity NPC201728
0.8514 High Similarity NPC264550
0.8514 High Similarity NPC92722
0.8514 High Similarity NPC264289
0.8514 High Similarity NPC142876
0.8514 High Similarity NPC102003
0.8514 High Similarity NPC69430
0.8514 High Similarity NPC40290
0.8514 High Similarity NPC139293
0.8514 High Similarity NPC195763
0.8514 High Similarity NPC200060
0.8514 High Similarity NPC333691
0.8506 High Similarity NPC329760
0.8503 High Similarity NPC476463
0.85 High Similarity NPC475088
0.8497 Intermediate Similarity NPC321399
0.8497 Intermediate Similarity NPC471973
0.8493 Intermediate Similarity NPC157133
0.8487 Intermediate Similarity NPC178976
0.8487 Intermediate Similarity NPC199463
0.8487 Intermediate Similarity NPC37543
0.8487 Intermediate Similarity NPC236796
0.8485 Intermediate Similarity NPC159525
0.8483 Intermediate Similarity NPC313047
0.8483 Intermediate Similarity NPC474203
0.8483 Intermediate Similarity NPC451542
0.8483 Intermediate Similarity NPC295712
0.8478 Intermediate Similarity NPC147757
0.8477 Intermediate Similarity NPC472280
0.8477 Intermediate Similarity NPC80534
0.8477 Intermediate Similarity NPC56786
0.8477 Intermediate Similarity NPC234255
0.8472 Intermediate Similarity NPC305845
0.8472 Intermediate Similarity NPC204045
0.8472 Intermediate Similarity NPC246638
0.8472 Intermediate Similarity NPC110419
0.8467 Intermediate Similarity NPC179898
0.8467 Intermediate Similarity NPC324233
0.8467 Intermediate Similarity NPC323626
0.8467 Intermediate Similarity NPC95537
0.8467 Intermediate Similarity NPC41263
0.8462 Intermediate Similarity NPC472368
0.8462 Intermediate Similarity NPC143438
0.8462 Intermediate Similarity NPC162939
0.8462 Intermediate Similarity NPC471819

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472903 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
0.9323 High Similarity NPD943 Approved
0.8913 High Similarity NPD651 Clinical (unspecified phase)
0.8643 High Similarity NPD1509 Clinical (unspecified phase)
0.8299 Intermediate Similarity NPD1511 Approved
0.8299 Intermediate Similarity NPD7390 Discontinued
0.8289 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8224 Intermediate Similarity NPD1934 Approved
0.8188 Intermediate Similarity NPD1512 Approved
0.8182 Intermediate Similarity NPD3882 Suspended
0.817 Intermediate Similarity NPD2801 Approved
0.8116 Intermediate Similarity NPD1470 Approved
0.8099 Intermediate Similarity NPD1240 Approved
0.8088 Intermediate Similarity NPD1201 Approved
0.8029 Intermediate Similarity NPD9269 Phase 2
0.8 Intermediate Similarity NPD7473 Discontinued
0.8 Intermediate Similarity NPD1510 Phase 2
0.7986 Intermediate Similarity NPD1607 Approved
0.7945 Intermediate Similarity NPD5405 Approved
0.7945 Intermediate Similarity NPD5404 Approved
0.7945 Intermediate Similarity NPD5406 Approved
0.7945 Intermediate Similarity NPD5408 Approved
0.7935 Intermediate Similarity NPD7819 Suspended
0.7925 Intermediate Similarity NPD6232 Discontinued
0.7881 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7838 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7826 Intermediate Similarity NPD6166 Phase 2
0.7826 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7826 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7793 Intermediate Similarity NPD230 Phase 1
0.7778 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7763 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7763 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7744 Intermediate Similarity NPD7074 Phase 3
0.7742 Intermediate Similarity NPD4380 Phase 2
0.7737 Intermediate Similarity NPD9268 Approved
0.773 Intermediate Similarity NPD3818 Discontinued
0.7718 Intermediate Similarity NPD1549 Phase 2
0.7683 Intermediate Similarity NPD7054 Approved
0.7673 Intermediate Similarity NPD7075 Discontinued
0.7658 Intermediate Similarity NPD3817 Phase 2
0.7651 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7651 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7636 Intermediate Similarity NPD7472 Approved
0.7632 Intermediate Similarity NPD3300 Phase 2
0.7616 Intermediate Similarity NPD3750 Approved
0.761 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7606 Intermediate Similarity NPD1164 Approved
0.7595 Intermediate Similarity NPD1465 Phase 2
0.7595 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7584 Intermediate Similarity NPD2796 Approved
0.7584 Intermediate Similarity NPD2935 Discontinued
0.7582 Intermediate Similarity NPD6799 Approved
0.7562 Intermediate Similarity NPD3749 Approved
0.7547 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7545 Intermediate Similarity NPD7251 Discontinued
0.7519 Intermediate Similarity NPD3022 Approved
0.7519 Intermediate Similarity NPD3021 Approved
0.7516 Intermediate Similarity NPD6599 Discontinued
0.7485 Intermediate Similarity NPD6797 Phase 2
0.7469 Intermediate Similarity NPD5494 Approved
0.7453 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7423 Intermediate Similarity NPD6959 Discontinued
0.7419 Intermediate Similarity NPD2532 Approved
0.7419 Intermediate Similarity NPD2534 Approved
0.7419 Intermediate Similarity NPD2533 Approved
0.7396 Intermediate Similarity NPD7808 Phase 3
0.7365 Intermediate Similarity NPD5844 Phase 1
0.7358 Intermediate Similarity NPD7411 Suspended
0.7357 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7351 Intermediate Similarity NPD6099 Approved
0.7351 Intermediate Similarity NPD6100 Approved
0.7347 Intermediate Similarity NPD3764 Approved
0.7338 Intermediate Similarity NPD6190 Approved
0.7333 Intermediate Similarity NPD3926 Phase 2
0.7325 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7312 Intermediate Similarity NPD6801 Discontinued
0.7303 Intermediate Similarity NPD2344 Approved
0.7294 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7285 Intermediate Similarity NPD3748 Approved
0.7284 Intermediate Similarity NPD7768 Phase 2
0.7273 Intermediate Similarity NPD8166 Discontinued
0.7267 Intermediate Similarity NPD6651 Approved
0.7222 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7208 Intermediate Similarity NPD2800 Approved
0.7192 Intermediate Similarity NPD2798 Approved
0.7186 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7185 Intermediate Similarity NPD9266 Approved
0.7185 Intermediate Similarity NPD74 Approved
0.7183 Intermediate Similarity NPD3019 Approved
0.7183 Intermediate Similarity NPD2932 Approved
0.7176 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7171 Intermediate Similarity NPD2799 Discontinued
0.7167 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7162 Intermediate Similarity NPD3027 Phase 3
0.7161 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.716 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD9494 Approved
0.7143 Intermediate Similarity NPD9493 Approved
0.7132 Intermediate Similarity NPD4750 Phase 3
0.7126 Intermediate Similarity NPD8150 Discontinued
0.7125 Intermediate Similarity NPD3226 Approved
0.7124 Intermediate Similarity NPD1551 Phase 2
0.7121 Intermediate Similarity NPD940 Approved
0.7121 Intermediate Similarity NPD846 Approved
0.7115 Intermediate Similarity NPD2309 Approved
0.7114 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7111 Intermediate Similarity NPD9267 Approved
0.7111 Intermediate Similarity NPD9264 Approved
0.7111 Intermediate Similarity NPD9263 Approved
0.7111 Intermediate Similarity NPD9265 Clinical (unspecified phase)
0.7095 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD919 Approved
0.7086 Intermediate Similarity NPD447 Suspended
0.7078 Intermediate Similarity NPD2346 Discontinued
0.7062 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD3299 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD6020 Phase 2
0.7051 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7051 Intermediate Similarity NPD4628 Phase 3
0.7045 Intermediate Similarity NPD1242 Phase 1
0.7035 Intermediate Similarity NPD6559 Discontinued
0.7027 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7012 Intermediate Similarity NPD5402 Approved
0.7007 Intermediate Similarity NPD1203 Approved
0.7006 Intermediate Similarity NPD1247 Approved
0.7006 Intermediate Similarity NPD7199 Phase 2
0.7 Intermediate Similarity NPD5403 Approved
0.6988 Remote Similarity NPD6234 Discontinued
0.6987 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6987 Remote Similarity NPD1243 Approved
0.6971 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6923 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6923 Remote Similarity NPD9545 Approved
0.6918 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6918 Remote Similarity NPD3972 Approved
0.6908 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6908 Remote Similarity NPD1613 Approved
0.6901 Remote Similarity NPD3751 Discontinued
0.689 Remote Similarity NPD37 Approved
0.6879 Remote Similarity NPD9281 Approved
0.6879 Remote Similarity NPD5953 Discontinued
0.6875 Remote Similarity NPD5401 Approved
0.6867 Remote Similarity NPD6832 Phase 2
0.6864 Remote Similarity NPD5711 Approved
0.6864 Remote Similarity NPD5710 Approved
0.686 Remote Similarity NPD7286 Phase 2
0.6859 Remote Similarity NPD7266 Discontinued
0.6842 Remote Similarity NPD3020 Approved
0.6824 Remote Similarity NPD1876 Approved
0.6821 Remote Similarity NPD4625 Phase 3
0.6815 Remote Similarity NPD9261 Approved
0.681 Remote Similarity NPD7458 Discontinued
0.681 Remote Similarity NPD3455 Phase 2
0.6803 Remote Similarity NPD9717 Approved
0.6802 Remote Similarity NPD7228 Approved
0.68 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6796 Remote Similarity NPD6535 Approved
0.6796 Remote Similarity NPD6534 Approved
0.679 Remote Similarity NPD920 Approved
0.6781 Remote Similarity NPD3023 Approved
0.6781 Remote Similarity NPD3026 Approved
0.6776 Remote Similarity NPD2313 Discontinued
0.6776 Remote Similarity NPD7699 Phase 2
0.6776 Remote Similarity NPD3268 Approved
0.6776 Remote Similarity NPD7700 Phase 2
0.6772 Remote Similarity NPD2654 Approved
0.6766 Remote Similarity NPD4966 Approved
0.6766 Remote Similarity NPD4965 Approved
0.6766 Remote Similarity NPD4967 Phase 2
0.6765 Remote Similarity NPD3787 Discontinued
0.6759 Remote Similarity NPD3024 Approved
0.6759 Remote Similarity NPD3025 Approved
0.6753 Remote Similarity NPD1933 Approved
0.6752 Remote Similarity NPD1471 Phase 3
0.675 Remote Similarity NPD643 Clinical (unspecified phase)
0.6743 Remote Similarity NPD5031 Approved
0.6743 Remote Similarity NPD7685 Pre-registration
0.6743 Remote Similarity NPD5027 Approved
0.6743 Remote Similarity NPD5029 Approved
0.6742 Remote Similarity NPD2859 Approved
0.6742 Remote Similarity NPD2860 Approved
0.6738 Remote Similarity NPD7635 Approved
0.6736 Remote Similarity NPD5536 Phase 2
0.6733 Remote Similarity NPD258 Approved
0.6733 Remote Similarity NPD257 Approved
0.6731 Remote Similarity NPD4308 Phase 3
0.673 Remote Similarity NPD7003 Approved
0.6725 Remote Similarity NPD5242 Approved
0.6707 Remote Similarity NPD4288 Approved
0.6705 Remote Similarity NPD5026 Approved
0.6705 Remote Similarity NPD5034 Approved
0.6705 Remote Similarity NPD36 Approved
0.6705 Remote Similarity NPD5028 Approved
0.6705 Remote Similarity NPD4955 Approved
0.6705 Remote Similarity NPD4954 Approved
0.6703 Remote Similarity NPD6777 Approved
0.6703 Remote Similarity NPD6781 Approved
0.6703 Remote Similarity NPD6779 Approved
0.6703 Remote Similarity NPD6780 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3593936
ZINC  

Physicochemical Properties

Molecular Weight:  428.22
ALogP:  -0.6086
MLogP:  3.55
XLogP:  3.951
# Rotatable Bonds:  18
Polar Surface Area:  118.22
# H-Bond Aceptor:  2
# H-Bond Donor:  5
# Rings:  2
# Heavy Atoms:  31

Download Data

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