Natural Product: NPC472892

Natural Product ID:  NPC472892
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C12H12O4
Standard InCHIKey:  QRTRJOXGGOWVOC-JTQLQIEISA-N
Standard InCHI:  InChI=1S/C12H12O4/c1-6-2-10(15)12(16)11(6)7-3-8(13)5-9(14)4-7/h3-5,10,13-15H,2H2,1H3/t10-/m0/s1
Canonical SMILES:  Oc1cc(O)cc(c1)C1=C(C)C[C@@H](C1=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
NPO33336 Penicillium sp. HN29-3B1 Species Aspergillaceae Eukaryota PMID[26230970]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT60 Individual Protein Lysosomal alpha-glucosidase Homo sapiens IC50 > 100000 nM DrugMatrix in vitro pharmacology data

  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 NPC472892 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
0.8718 High Similarity NPC162113
0.8718 High Similarity NPC62546
0.8455 Intermediate Similarity NPC248363
0.8385 Intermediate Similarity NPC478190
0.8306 Intermediate Similarity NPC146642
0.8295 Intermediate Similarity NPC120488
0.8295 Intermediate Similarity NPC102829
0.8231 Intermediate Similarity NPC147757
0.8226 Intermediate Similarity NPC294037
0.8211 Intermediate Similarity NPC40649
0.8211 Intermediate Similarity NPC209486
0.8209 Intermediate Similarity NPC170742
0.8195 Intermediate Similarity NPC70859
0.8195 Intermediate Similarity NPC61153
0.8195 Intermediate Similarity NPC130899
0.8195 Intermediate Similarity NPC283590
0.816 Intermediate Similarity NPC149246
0.8148 Intermediate Similarity NPC175552
0.8143 Intermediate Similarity NPC14098
0.814 Intermediate Similarity NPC156539
0.8125 Intermediate Similarity NPC10926
0.8125 Intermediate Similarity NPC477454
0.8095 Intermediate Similarity NPC215392
0.8092 Intermediate Similarity NPC123
0.8092 Intermediate Similarity NPC163169
0.8083 Intermediate Similarity NPC212718
0.808 Intermediate Similarity NPC294964
0.808 Intermediate Similarity NPC159525
0.8077 Intermediate Similarity NPC79332
0.8077 Intermediate Similarity NPC24869
0.8062 Intermediate Similarity NPC8745
0.8062 Intermediate Similarity NPC473691
0.8051 Intermediate Similarity NPC61033
0.8051 Intermediate Similarity NPC305603
0.8047 Intermediate Similarity NPC13238
0.8045 Intermediate Similarity NPC139074
0.8045 Intermediate Similarity NPC213485
0.8045 Intermediate Similarity NPC40524
0.8033 Intermediate Similarity NPC118288
0.8033 Intermediate Similarity NPC276111
0.8031 Intermediate Similarity NPC91105
0.803 Intermediate Similarity NPC475042
0.8015 Intermediate Similarity NPC109123
0.8015 Intermediate Similarity NPC475974
0.8 Intermediate Similarity NPC242178
0.8 Intermediate Similarity NPC158222
0.8 Intermediate Similarity NPC107672
0.8 Intermediate Similarity NPC161617
0.7985 Intermediate Similarity NPC474519
0.7984 Intermediate Similarity NPC262671
0.7984 Intermediate Similarity NPC475733
0.7984 Intermediate Similarity NPC201728
0.7984 Intermediate Similarity NPC121259
0.7971 Intermediate Similarity NPC244923
0.797 Intermediate Similarity NPC17843
0.7969 Intermediate Similarity NPC472029
0.7969 Intermediate Similarity NPC65761
0.7966 Intermediate Similarity NPC317592
0.7956 Intermediate Similarity NPC474655
0.7955 Intermediate Similarity NPC62219
0.7953 Intermediate Similarity NPC242895
0.7953 Intermediate Similarity NPC226275
0.7951 Intermediate Similarity NPC98543
0.7951 Intermediate Similarity NPC11824
0.7941 Intermediate Similarity NPC149372
0.7941 Intermediate Similarity NPC178467
0.7941 Intermediate Similarity NPC65837
0.7941 Intermediate Similarity NPC474771
0.7941 Intermediate Similarity NPC474849
0.7939 Intermediate Similarity NPC179898
0.7939 Intermediate Similarity NPC476024
0.7939 Intermediate Similarity NPC41263
0.7929 Intermediate Similarity NPC471906
0.7899 Intermediate Similarity NPC34715
0.7895 Intermediate Similarity NPC198249
0.7891 Intermediate Similarity NPC309765
0.7891 Intermediate Similarity NPC133909
0.7891 Intermediate Similarity NPC32032
0.7883 Intermediate Similarity NPC212693
0.7883 Intermediate Similarity NPC94248
0.7883 Intermediate Similarity NPC191835
0.7879 Intermediate Similarity NPC92624
0.7868 Intermediate Similarity NPC84699
0.7857 Intermediate Similarity NPC476020
0.7857 Intermediate Similarity NPC473767
0.7857 Intermediate Similarity NPC354984
0.7852 Intermediate Similarity NPC474394
0.7842 Intermediate Similarity NPC204045
0.7842 Intermediate Similarity NPC305845
0.784 Intermediate Similarity NPC230349
0.7836 Intermediate Similarity NPC476389
0.7826 Intermediate Similarity NPC268052
0.7826 Intermediate Similarity NPC139634
0.7826 Intermediate Similarity NPC105456
0.7826 Intermediate Similarity NPC268691
0.7826 Intermediate Similarity NPC52358
0.782 Intermediate Similarity NPC233056
0.782 Intermediate Similarity NPC17840
0.782 Intermediate Similarity NPC247477
0.782 Intermediate Similarity NPC259942
0.7812 Intermediate Similarity NPC45438
0.7812 Intermediate Similarity NPC19174
0.7812 Intermediate Similarity NPC73532
0.7812 Intermediate Similarity NPC143427
0.7812 Intermediate Similarity NPC156139
0.7812 Intermediate Similarity NPC224273
0.7812 Intermediate Similarity NPC303737
0.7812 Intermediate Similarity NPC267552
0.7812 Intermediate Similarity NPC115159
0.781 Intermediate Similarity NPC70380
0.781 Intermediate Similarity NPC71256
0.7794 Intermediate Similarity NPC278375
0.7787 Intermediate Similarity NPC114682
0.7786 Intermediate Similarity NPC267846
0.7786 Intermediate Similarity NPC474961
0.7786 Intermediate Similarity NPC474944
0.7786 Intermediate Similarity NPC135524
0.7778 Intermediate Similarity NPC24407
0.7778 Intermediate Similarity NPC41567
0.7778 Intermediate Similarity NPC153783
0.7778 Intermediate Similarity NPC48036
0.7778 Intermediate Similarity NPC294186
0.7778 Intermediate Similarity NPC267205
0.7778 Intermediate Similarity NPC192032
0.7778 Intermediate Similarity NPC63126
0.7778 Intermediate Similarity NPC11280
0.7778 Intermediate Similarity NPC137415
0.7778 Intermediate Similarity NPC166313
0.7778 Intermediate Similarity NPC147310
0.777 Intermediate Similarity NPC37206
0.7769 Intermediate Similarity NPC95172
0.7769 Intermediate Similarity NPC474803
0.7761 Intermediate Similarity NPC219892
0.7761 Intermediate Similarity NPC189823
0.776 Intermediate Similarity NPC123559
0.7754 Intermediate Similarity NPC478200
0.7754 Intermediate Similarity NPC33144
0.7754 Intermediate Similarity NPC472403
0.7754 Intermediate Similarity NPC177307
0.7754 Intermediate Similarity NPC9121
0.7752 Intermediate Similarity NPC475192
0.775 Intermediate Similarity NPC226699
0.7744 Intermediate Similarity NPC69235
0.7744 Intermediate Similarity NPC212379
0.7744 Intermediate Similarity NPC476119
0.7744 Intermediate Similarity NPC474998
0.7742 Intermediate Similarity NPC474114
0.7742 Intermediate Similarity NPC474050
0.7742 Intermediate Similarity NPC473931
0.7737 Intermediate Similarity NPC38158
0.7737 Intermediate Similarity NPC235115
0.7734 Intermediate Similarity NPC297186
0.773 Intermediate Similarity NPC148545
0.7727 Intermediate Similarity NPC100067
0.7727 Intermediate Similarity NPC103356
0.7727 Intermediate Similarity NPC30501
0.7727 Intermediate Similarity NPC162612
0.7727 Intermediate Similarity NPC209959
0.7727 Intermediate Similarity NPC105157
0.7727 Intermediate Similarity NPC169250
0.7727 Intermediate Similarity NPC98254
0.7727 Intermediate Similarity NPC23126
0.7727 Intermediate Similarity NPC128428
0.7727 Intermediate Similarity NPC72158
0.7727 Intermediate Similarity NPC116513
0.7727 Intermediate Similarity NPC305518
0.7727 Intermediate Similarity NPC266689
0.7727 Intermediate Similarity NPC190043
0.7724 Intermediate Similarity NPC473521
0.7724 Intermediate Similarity NPC231717
0.7721 Intermediate Similarity NPC166480
0.7721 Intermediate Similarity NPC282780
0.7721 Intermediate Similarity NPC248150
0.7717 Intermediate Similarity NPC195262
0.7717 Intermediate Similarity NPC188814
0.7714 Intermediate Similarity NPC313123
0.7714 Intermediate Similarity NPC478217
0.7714 Intermediate Similarity NPC110810
0.7712 Intermediate Similarity NPC106396
0.7712 Intermediate Similarity NPC313030
0.7712 Intermediate Similarity NPC85479
0.7712 Intermediate Similarity NPC146798
0.7712 Intermediate Similarity NPC94351
0.7712 Intermediate Similarity NPC302219
0.7712 Intermediate Similarity NPC24404
0.7712 Intermediate Similarity NPC168303
0.7712 Intermediate Similarity NPC242342
0.7712 Intermediate Similarity NPC249828
0.7712 Intermediate Similarity NPC53051
0.7712 Intermediate Similarity NPC71002
0.7712 Intermediate Similarity NPC222522
0.771 Intermediate Similarity NPC472592
0.771 Intermediate Similarity NPC167055
0.771 Intermediate Similarity NPC240744
0.7704 Intermediate Similarity NPC135801
0.7704 Intermediate Similarity NPC477407
0.7698 Intermediate Similarity NPC32360
0.7698 Intermediate Similarity NPC4796
0.7698 Intermediate Similarity NPC162939
0.7698 Intermediate Similarity NPC190457

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472892 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
0.7704 Intermediate Similarity NPD943 Approved
0.7647 Intermediate Similarity NPD230 Phase 1
0.7615 Intermediate Similarity NPD9269 Phase 2
0.7609 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7609 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7578 Intermediate Similarity NPD9268 Approved
0.7482 Intermediate Similarity NPD1510 Phase 2
0.7445 Intermediate Similarity NPD1240 Approved
0.7376 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7376 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7364 Intermediate Similarity NPD9545 Approved
0.7355 Intermediate Similarity NPD1237 Approved
0.7339 Intermediate Similarity NPD4750 Phase 3
0.7338 Intermediate Similarity NPD1607 Approved
0.7333 Intermediate Similarity NPD940 Approved
0.7333 Intermediate Similarity NPD846 Approved
0.7324 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7324 Intermediate Similarity NPD1549 Phase 2
0.7317 Intermediate Similarity NPD9265 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD1201 Approved
0.726 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD1242 Phase 1
0.7192 Intermediate Similarity NPD7390 Discontinued
0.7185 Intermediate Similarity NPD1470 Approved
0.7152 Intermediate Similarity NPD1934 Approved
0.7124 Intermediate Similarity NPD3882 Suspended
0.7105 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7103 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7095 Intermediate Similarity NPD1512 Approved
0.7083 Intermediate Similarity NPD9495 Approved
0.7077 Intermediate Similarity NPD9493 Approved
0.7077 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD6100 Approved
0.7063 Intermediate Similarity NPD6099 Approved
0.7055 Intermediate Similarity NPD6190 Approved
0.7045 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD1755 Approved
0.7027 Intermediate Similarity NPD2532 Approved
0.7027 Intermediate Similarity NPD2533 Approved
0.7027 Intermediate Similarity NPD2534 Approved
0.7025 Intermediate Similarity NPD6166 Phase 2
0.7025 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.702 Intermediate Similarity NPD4380 Phase 2
0.6992 Remote Similarity NPD3019 Approved
0.6992 Remote Similarity NPD2932 Approved
0.6984 Remote Similarity NPD74 Approved
0.6984 Remote Similarity NPD9266 Approved
0.6968 Remote Similarity NPD7075 Discontinued
0.6963 Remote Similarity NPD1608 Approved
0.6959 Remote Similarity NPD1511 Approved
0.6944 Remote Similarity NPD2796 Approved
0.6929 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6917 Remote Similarity NPD844 Approved
0.6905 Remote Similarity NPD9264 Approved
0.6905 Remote Similarity NPD9267 Approved
0.6905 Remote Similarity NPD9263 Approved
0.6883 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6871 Remote Similarity NPD6398 Clinical (unspecified phase)
0.686 Remote Similarity NPD288 Approved
0.6857 Remote Similarity NPD3027 Phase 3
0.6846 Remote Similarity NPD6799 Approved
0.6839 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6835 Remote Similarity NPD9494 Approved
0.6829 Remote Similarity NPD289 Clinical (unspecified phase)
0.6828 Remote Similarity NPD1551 Phase 2
0.6818 Remote Similarity NPD6801 Discontinued
0.6803 Remote Similarity NPD2800 Approved
0.68 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6795 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6794 Remote Similarity NPD2629 Approved
0.6774 Remote Similarity NPD7819 Suspended
0.6774 Remote Similarity NPD2801 Approved
0.6763 Remote Similarity NPD602 Approved
0.6763 Remote Similarity NPD599 Approved
0.6763 Remote Similarity NPD859 Approved
0.6763 Remote Similarity NPD858 Approved
0.6761 Remote Similarity NPD6663 Approved
0.6759 Remote Similarity NPD3299 Clinical (unspecified phase)
0.6757 Remote Similarity NPD4628 Phase 3
0.6757 Remote Similarity NPD3750 Approved
0.6752 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6741 Remote Similarity NPD17 Approved
0.6736 Remote Similarity NPD6651 Approved
0.6731 Remote Similarity NPD3817 Phase 2
0.6731 Remote Similarity NPD5402 Approved
0.673 Remote Similarity NPD6959 Discontinued
0.6728 Remote Similarity NPD3818 Discontinued
0.6718 Remote Similarity NPD1241 Discontinued
0.6716 Remote Similarity NPD3091 Approved
0.6714 Remote Similarity NPD5736 Approved
0.6712 Remote Similarity NPD2935 Discontinued
0.6711 Remote Similarity NPD5403 Approved
0.6711 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6707 Remote Similarity NPD6797 Phase 2
0.6707 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6694 Remote Similarity NPD1432 Clinical (unspecified phase)
0.6691 Remote Similarity NPD1164 Approved
0.6691 Remote Similarity NPD3094 Phase 2
0.669 Remote Similarity NPD3764 Approved
0.6689 Remote Similarity NPD5401 Approved
0.6689 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6688 Remote Similarity NPD6599 Discontinued
0.6687 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6667 Remote Similarity NPD9281 Approved
0.6667 Remote Similarity NPD690 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7251 Discontinued
0.6646 Remote Similarity NPD7074 Phase 3
0.6645 Remote Similarity NPD7411 Suspended
0.6644 Remote Similarity NPD7033 Discontinued
0.6643 Remote Similarity NPD6917 Clinical (unspecified phase)
0.6643 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6642 Remote Similarity NPD3092 Approved
0.6642 Remote Similarity NPD422 Phase 1
0.6639 Remote Similarity NPD2860 Approved
0.6639 Remote Similarity NPD2859 Approved
0.6627 Remote Similarity NPD7808 Phase 3
0.6623 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6617 Remote Similarity NPD255 Approved
0.6617 Remote Similarity NPD256 Approved
0.6614 Remote Similarity NPD5048 Discontinued
0.6613 Remote Similarity NPD3020 Approved
0.6604 Remote Similarity NPD919 Approved
0.6603 Remote Similarity NPD37 Approved
0.6599 Remote Similarity NPD9570 Approved
0.6599 Remote Similarity NPD5405 Approved
0.6599 Remote Similarity NPD5408 Approved
0.6599 Remote Similarity NPD5404 Approved
0.6599 Remote Similarity NPD5406 Approved
0.6597 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6597 Remote Similarity NPD1613 Approved
0.6594 Remote Similarity NPD9717 Approved
0.6593 Remote Similarity NPD1759 Phase 1
0.6587 Remote Similarity NPD6647 Phase 2
0.6587 Remote Similarity NPD9261 Approved
0.6585 Remote Similarity NPD7054 Approved
0.6579 Remote Similarity NPD9093 Approved
0.6577 Remote Similarity NPD1243 Approved
0.6577 Remote Similarity NPD2654 Approved
0.6577 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6573 Remote Similarity NPD3268 Approved
0.6573 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6569 Remote Similarity NPD3023 Approved
0.6569 Remote Similarity NPD3026 Approved
0.6557 Remote Similarity NPD2934 Approved
0.6557 Remote Similarity NPD2933 Approved
0.6556 Remote Similarity NPD3300 Phase 2
0.6554 Remote Similarity NPD6005 Phase 3
0.6554 Remote Similarity NPD6004 Phase 3
0.6554 Remote Similarity NPD6002 Phase 3
0.6554 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6554 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6547 Remote Similarity NPD4749 Approved
0.6545 Remote Similarity NPD7472 Approved
0.6544 Remote Similarity NPD3024 Approved
0.6544 Remote Similarity NPD3025 Approved
0.6541 Remote Similarity NPD9614 Approved
0.6541 Remote Similarity NPD9618 Approved
0.6538 Remote Similarity NPD9380 Clinical (unspecified phase)
0.6538 Remote Similarity NPD3021 Approved
0.6538 Remote Similarity NPD3022 Approved
0.6527 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6525 Remote Similarity NPD258 Approved
0.6525 Remote Similarity NPD257 Approved
0.6522 Remote Similarity NPD1247 Approved
0.6522 Remote Similarity NPD1610 Phase 2
0.6522 Remote Similarity NPD9089 Approved
0.6519 Remote Similarity NPD1758 Phase 1
0.6509 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6507 Remote Similarity NPD6653 Approved
0.6507 Remote Similarity NPD2568 Approved
0.65 Remote Similarity NPD1283 Approved
0.6496 Remote Similarity NPD1778 Approved
0.6496 Remote Similarity NPD3095 Discontinued
0.6496 Remote Similarity NPD111 Approved
0.6494 Remote Similarity NPD920 Approved
0.6485 Remote Similarity NPD5844 Phase 1
0.6483 Remote Similarity NPD826 Approved
0.6483 Remote Similarity NPD825 Approved
0.6481 Remote Similarity NPD6232 Discontinued
0.6478 Remote Similarity NPD4967 Phase 2
0.6478 Remote Similarity NPD4966 Approved
0.6478 Remote Similarity NPD4965 Approved
0.6475 Remote Similarity NPD3972 Approved
0.6475 Remote Similarity NPD845 Approved
0.6471 Remote Similarity NPD1548 Phase 1
0.6467 Remote Similarity NPD6559 Discontinued
0.6463 Remote Similarity NPD7473 Discontinued
0.646 Remote Similarity NPD5494 Approved
0.6458 Remote Similarity NPD411 Approved
0.6454 Remote Similarity NPD1203 Approved
0.6454 Remote Similarity NPD2797 Approved
0.6447 Remote Similarity NPD643 Clinical (unspecified phase)
0.6443 Remote Similarity NPD2344 Approved
0.6438 Remote Similarity NPD3749 Approved
0.6438 Remote Similarity NPD6355 Discontinued
0.6438 Remote Similarity NPD447 Suspended
0.6434 Remote Similarity NPD4908 Phase 1
0.6434 Remote Similarity NPD1444 Approved
0.6434 Remote Similarity NPD1445 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3593567
ZINC  

Physicochemical Properties

Molecular Weight:  220.07
ALogP:  -1.0208
MLogP:  2.34
XLogP:  0.332
# Rotatable Bonds:  5
Polar Surface Area:  77.76
# H-Bond Aceptor:  2
# H-Bond Donor:  3
# Rings:  2
# Heavy Atoms:  16

Download Data

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