Natural Product: NPC478027

Natural Product ID:  NPC478027
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C22H22O9
Standard InCHIKey:  QJOFRWDMXPKWGM-AOYFJZKLSA-N
Standard InCHI:  InChI=1S/C22H22O9/c1-7-15-9(3-10(30-7)5-14(24)25)4-11-16(20(15)27)21(28)18-17(19(11)26)12-6-13(23)22(18,29)8(2)31-12/h4,7-8,10,12-13,23,27,29H,3,5-6H2,1-2H3,(H,24,25)/t7-,8+,10+,12+,13+,22-/m0/s1
Canonical SMILES:  OC(=O)C[C@@H]1O[C@@H](C)c2c(C1)cc1c(c2O)C(=O)C2=C(C1=O)[C@H]1C[C@H]([C@@]2(O)[C@H](O1)C)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
NPO33516 Streptomyces sp. CPCC 200532 Species Streptomycetaceae Bacteria PMID[25153802]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 178700 nM 25153802
NPT81 Cell Line A549 Homo sapiens IC50 = 96600 nM 25153802
NPT165 Cell Line HeLa Homo sapiens IC50 = 297300 nM 25153802
NPT65 Cell Line HepG2 Homo sapiens IC50 = 148000 nM 25153802

  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 NPC478027 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
0.9423 High Similarity NPC478026
0.9 High Similarity NPC103910
0.8968 High Similarity NPC471695
0.8968 High Similarity NPC474621
0.8968 High Similarity NPC474622
0.8951 High Similarity NPC470580
0.8938 High Similarity NPC478020
0.8938 High Similarity NPC478022
0.8902 High Similarity NPC19056
0.8902 High Similarity NPC470583
0.8854 High Similarity NPC472050
0.8831 High Similarity NPC44378
0.8831 High Similarity NPC280753
0.8816 High Similarity NPC474630
0.8797 High Similarity NPC472889
0.8797 High Similarity NPC208651
0.8797 High Similarity NPC206641
0.8795 High Similarity NPC470582
0.8795 High Similarity NPC266513
0.8795 High Similarity NPC470581
0.8795 High Similarity NPC115447
0.8782 High Similarity NPC474533
0.8782 High Similarity NPC474534
0.878 High Similarity NPC270027
0.878 High Similarity NPC183441
0.8774 High Similarity NPC477914
0.8766 High Similarity NPC94781
0.8758 High Similarity NPC285122
0.8726 High Similarity NPC155686
0.8726 High Similarity NPC478231
0.8726 High Similarity NPC137301
0.8726 High Similarity NPC312482
0.872 High Similarity NPC478021
0.8704 High Similarity NPC329647
0.8704 High Similarity NPC470735
0.8696 High Similarity NPC187934
0.8696 High Similarity NPC97637
0.8684 High Similarity NPC21873
0.8683 High Similarity NPC83331
0.8679 High Similarity NPC29552
0.8671 High Similarity NPC478230
0.8671 High Similarity NPC174599
0.8671 High Similarity NPC192219
0.8671 High Similarity NPC82190
0.8671 High Similarity NPC472890
0.8671 High Similarity NPC478221
0.8671 High Similarity NPC69043
0.8671 High Similarity NPC3449
0.8667 High Similarity NPC294501
0.8667 High Similarity NPC295339
0.8662 High Similarity NPC478224
0.8662 High Similarity NPC115249
0.8636 High Similarity NPC473023
0.8636 High Similarity NPC120536
0.8631 High Similarity NPC283980
0.8631 High Similarity NPC187441
0.8623 High Similarity NPC176246
0.8616 High Similarity NPC148323
0.8616 High Similarity NPC283480
0.8614 High Similarity NPC472054
0.8608 High Similarity NPC182921
0.8608 High Similarity NPC218870
0.8608 High Similarity NPC470408
0.8608 High Similarity NPC474824
0.86 High Similarity NPC61590
0.86 High Similarity NPC197666
0.86 High Similarity NPC126739
0.8599 High Similarity NPC46882
0.8599 High Similarity NPC132990
0.8598 High Similarity NPC234497
0.8598 High Similarity NPC107009
0.8598 High Similarity NPC472058
0.8598 High Similarity NPC470341
0.8598 High Similarity NPC105414
0.8598 High Similarity NPC324522
0.8598 High Similarity NPC473094
0.8591 High Similarity NPC315275
0.859 High Similarity NPC120171
0.8589 High Similarity NPC472057
0.8589 High Similarity NPC472051
0.8581 High Similarity NPC53362
0.8581 High Similarity NPC166583
0.8571 High Similarity NPC170055
0.8571 High Similarity NPC477683
0.8571 High Similarity NPC472055
0.8571 High Similarity NPC477682
0.8563 High Similarity NPC294149
0.8563 High Similarity NPC68381
0.8562 High Similarity NPC471731
0.8562 High Similarity NPC159721
0.8562 High Similarity NPC246466
0.8562 High Similarity NPC478225
0.8554 High Similarity NPC473113
0.8554 High Similarity NPC472620
0.8553 High Similarity NPC471456
0.8553 High Similarity NPC317585
0.8553 High Similarity NPC257003
0.8553 High Similarity NPC170189
0.8553 High Similarity NPC208173
0.8545 High Similarity NPC473095
0.8545 High Similarity NPC175477
0.8545 High Similarity NPC473096
0.8545 High Similarity NPC191653
0.8544 High Similarity NPC184284
0.8544 High Similarity NPC76041
0.8537 High Similarity NPC178173
0.8535 High Similarity NPC472891
0.8526 High Similarity NPC470479
0.8519 High Similarity NPC117985
0.8516 High Similarity NPC136878
0.8509 High Similarity NPC53139
0.8509 High Similarity NPC470339
0.8506 High Similarity NPC29932
0.8506 High Similarity NPC84568
0.8506 High Similarity NPC300684
0.8506 High Similarity NPC48130
0.8506 High Similarity NPC151607
0.8506 High Similarity NPC42540
0.8506 High Similarity NPC218866
0.8503 High Similarity NPC65118
0.8503 High Similarity NPC154986
0.85 High Similarity NPC474861
0.8497 Intermediate Similarity NPC471733
0.8491 Intermediate Similarity NPC209393
0.8491 Intermediate Similarity NPC205172
0.8485 Intermediate Similarity NPC63470
0.8481 Intermediate Similarity NPC205918
0.8481 Intermediate Similarity NPC70016
0.8481 Intermediate Similarity NPC215921
0.8476 Intermediate Similarity NPC178281
0.8471 Intermediate Similarity NPC237440
0.8471 Intermediate Similarity NPC475161
0.8471 Intermediate Similarity NPC478219
0.8471 Intermediate Similarity NPC477860
0.8471 Intermediate Similarity NPC208069
0.8471 Intermediate Similarity NPC270160
0.8466 Intermediate Similarity NPC472059
0.8462 Intermediate Similarity NPC119767
0.8452 Intermediate Similarity NPC474309
0.8452 Intermediate Similarity NPC70862
0.8447 Intermediate Similarity NPC478226
0.8447 Intermediate Similarity NPC263483
0.8443 Intermediate Similarity NPC271385
0.8443 Intermediate Similarity NPC5029
0.8443 Intermediate Similarity NPC76128
0.8443 Intermediate Similarity NPC111536
0.8443 Intermediate Similarity NPC30432
0.8442 Intermediate Similarity NPC476473
0.8438 Intermediate Similarity NPC266469
0.8438 Intermediate Similarity NPC66029
0.8434 Intermediate Similarity NPC472619
0.8431 Intermediate Similarity NPC472604
0.8431 Intermediate Similarity NPC472603
0.8431 Intermediate Similarity NPC472605
0.8431 Intermediate Similarity NPC149533
0.8428 Intermediate Similarity NPC256141
0.8428 Intermediate Similarity NPC470340
0.8428 Intermediate Similarity NPC478220
0.8424 Intermediate Similarity NPC477835
0.8424 Intermediate Similarity NPC20237
0.8421 Intermediate Similarity NPC111422
0.8421 Intermediate Similarity NPC476477
0.8421 Intermediate Similarity NPC306835
0.8421 Intermediate Similarity NPC299405
0.8421 Intermediate Similarity NPC216312
0.8421 Intermediate Similarity NPC471602
0.8421 Intermediate Similarity NPC256463
0.8421 Intermediate Similarity NPC29771
0.8418 Intermediate Similarity NPC205766
0.8418 Intermediate Similarity NPC56204
0.8415 Intermediate Similarity NPC249181
0.8415 Intermediate Similarity NPC472053
0.8412 Intermediate Similarity NPC72783
0.8408 Intermediate Similarity NPC112816
0.8405 Intermediate Similarity NPC317544
0.8405 Intermediate Similarity NPC472261
0.8402 Intermediate Similarity NPC324220
0.8402 Intermediate Similarity NPC312630
0.8402 Intermediate Similarity NPC475233
0.8402 Intermediate Similarity NPC475246
0.8402 Intermediate Similarity NPC46958
0.84 Intermediate Similarity NPC27407
0.84 Intermediate Similarity NPC142027
0.8397 Intermediate Similarity NPC470570
0.8397 Intermediate Similarity NPC147250
0.8395 Intermediate Similarity NPC314795
0.8393 Intermediate Similarity NPC85368
0.8391 Intermediate Similarity NPC314672
0.8385 Intermediate Similarity NPC478223
0.8383 Intermediate Similarity NPC298778
0.8383 Intermediate Similarity NPC313304
0.8377 Intermediate Similarity NPC474300
0.8377 Intermediate Similarity NPC322112
0.8377 Intermediate Similarity NPC82913
0.8377 Intermediate Similarity NPC314271
0.8375 Intermediate Similarity NPC192189
0.8373 Intermediate Similarity NPC283041
0.8366 Intermediate Similarity NPC241349
0.8366 Intermediate Similarity NPC147542
0.8366 Intermediate Similarity NPC32749

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC478027 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
0.858 High Similarity NPD8150 Discontinued
0.8382 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.8187 Intermediate Similarity NPD4380 Phase 2
0.8101 Intermediate Similarity NPD2533 Approved
0.8101 Intermediate Similarity NPD2532 Approved
0.8101 Intermediate Similarity NPD2534 Approved
0.8079 Intermediate Similarity NPD6535 Approved
0.8079 Intermediate Similarity NPD6534 Approved
0.8024 Intermediate Similarity NPD6232 Discontinued
0.7988 Intermediate Similarity NPD7473 Discontinued
0.7977 Intermediate Similarity NPD8313 Approved
0.7977 Intermediate Similarity NPD8312 Approved
0.7964 Intermediate Similarity NPD6959 Discontinued
0.7955 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7944 Intermediate Similarity NPD7699 Phase 2
0.7944 Intermediate Similarity NPD7700 Phase 2
0.7927 Intermediate Similarity NPD7819 Suspended
0.7923 Intermediate Similarity NPD7435 Discontinued
0.7901 Intermediate Similarity NPD3226 Approved
0.7892 Intermediate Similarity NPD7075 Discontinued
0.788 Intermediate Similarity NPD8319 Approved
0.788 Intermediate Similarity NPD8320 Phase 1
0.7857 Intermediate Similarity NPD6780 Approved
0.7857 Intermediate Similarity NPD6776 Approved
0.7857 Intermediate Similarity NPD6782 Approved
0.7857 Intermediate Similarity NPD6779 Approved
0.7857 Intermediate Similarity NPD6778 Approved
0.7857 Intermediate Similarity NPD6777 Approved
0.7857 Intermediate Similarity NPD6781 Approved
0.7821 Intermediate Similarity NPD6212 Phase 3
0.7821 Intermediate Similarity NPD6213 Phase 3
0.7821 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.7791 Intermediate Similarity NPD5844 Phase 1
0.7784 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7771 Intermediate Similarity NPD2346 Discontinued
0.7758 Intermediate Similarity NPD6801 Discontinued
0.7756 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7725 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7722 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7711 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7711 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7707 Intermediate Similarity NPD5406 Approved
0.7707 Intermediate Similarity NPD5404 Approved
0.7707 Intermediate Similarity NPD5405 Approved
0.7707 Intermediate Similarity NPD5408 Approved
0.7702 Intermediate Similarity NPD7390 Discontinued
0.7688 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7672 Intermediate Similarity NPD7874 Approved
0.7672 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7665 Intermediate Similarity NPD5402 Approved
0.7657 Intermediate Similarity NPD6559 Discontinued
0.7634 Intermediate Similarity NPD7697 Approved
0.7634 Intermediate Similarity NPD7696 Phase 3
0.7634 Intermediate Similarity NPD7698 Approved
0.7619 Intermediate Similarity NPD8151 Discontinued
0.7616 Intermediate Similarity NPD6166 Phase 2
0.7616 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7616 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7602 Intermediate Similarity NPD5711 Approved
0.7602 Intermediate Similarity NPD5710 Approved
0.7594 Intermediate Similarity NPD7871 Phase 2
0.7594 Intermediate Similarity NPD7870 Phase 2
0.759 Intermediate Similarity NPD7411 Suspended
0.7586 Intermediate Similarity NPD7054 Approved
0.7566 Intermediate Similarity NPD7701 Phase 2
0.7546 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7546 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7545 Intermediate Similarity NPD1934 Approved
0.7543 Intermediate Similarity NPD7074 Phase 3
0.7543 Intermediate Similarity NPD7472 Approved
0.7529 Intermediate Similarity NPD3818 Discontinued
0.7529 Intermediate Similarity NPD3751 Discontinued
0.7516 Intermediate Similarity NPD4628 Phase 3
0.7514 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7514 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD6797 Phase 2
0.7487 Intermediate Similarity NPD6823 Phase 2
0.7484 Intermediate Similarity NPD2935 Discontinued
0.747 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.746 Intermediate Similarity NPD7211 Clinical (unspecified phase)
0.7458 Intermediate Similarity NPD7251 Discontinued
0.7456 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7456 Intermediate Similarity NPD3817 Phase 2
0.7455 Intermediate Similarity NPD5403 Approved
0.7452 Intermediate Similarity NPD230 Phase 1
0.7448 Intermediate Similarity NPD7801 Approved
0.7444 Intermediate Similarity NPD8434 Phase 2
0.7439 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7425 Intermediate Similarity NPD6599 Discontinued
0.7419 Intermediate Similarity NPD8285 Discontinued
0.7416 Intermediate Similarity NPD7808 Phase 3
0.7407 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7407 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7407 Intermediate Similarity NPD3750 Approved
0.7396 Intermediate Similarity NPD2801 Approved
0.7396 Intermediate Similarity NPD1465 Phase 2
0.7386 Intermediate Similarity NPD1470 Approved
0.7384 Intermediate Similarity NPD5494 Approved
0.7368 Intermediate Similarity NPD3749 Approved
0.7362 Intermediate Similarity NPD6190 Approved
0.7358 Intermediate Similarity NPD7783 Phase 2
0.7358 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD5401 Approved
0.7326 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.7312 Intermediate Similarity NPD1510 Phase 2
0.7293 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7286 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.7284 Intermediate Similarity NPD1549 Phase 2
0.7273 Intermediate Similarity NPD6799 Approved
0.7262 Intermediate Similarity NPD7458 Discontinued
0.7261 Intermediate Similarity NPD2313 Discontinued
0.7261 Intermediate Similarity NPD3764 Approved
0.7239 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7239 Intermediate Similarity NPD2800 Approved
0.7232 Intermediate Similarity NPD7228 Approved
0.7229 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7212 Intermediate Similarity NPD3300 Phase 2
0.7209 Intermediate Similarity NPD7768 Phase 2
0.7209 Intermediate Similarity NPD3882 Suspended
0.72 Intermediate Similarity NPD3787 Discontinued
0.7195 Intermediate Similarity NPD8166 Discontinued
0.7188 Intermediate Similarity NPD1607 Approved
0.7169 Intermediate Similarity NPD1511 Approved
0.7167 Intermediate Similarity NPD7685 Pre-registration
0.716 Intermediate Similarity NPD2796 Approved
0.7135 Intermediate Similarity NPD37 Approved
0.7135 Intermediate Similarity NPD7799 Discontinued
0.7126 Intermediate Similarity NPD6234 Discontinued
0.7124 Intermediate Similarity NPD1201 Approved
0.711 Intermediate Similarity NPD4966 Approved
0.711 Intermediate Similarity NPD4965 Approved
0.711 Intermediate Similarity NPD4967 Phase 2
0.7108 Intermediate Similarity NPD7236 Approved
0.7101 Intermediate Similarity NPD7239 Suspended
0.7099 Intermediate Similarity NPD2799 Discontinued
0.7099 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7099 Intermediate Similarity NPD3748 Approved
0.7091 Intermediate Similarity NPD7003 Approved
0.7086 Intermediate Similarity NPD9545 Approved
0.7083 Intermediate Similarity NPD1512 Approved
0.7081 Intermediate Similarity NPD6651 Approved
0.7067 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7067 Intermediate Similarity NPD9493 Approved
0.7063 Intermediate Similarity NPD943 Approved
0.7063 Intermediate Similarity NPD1240 Approved
0.7055 Intermediate Similarity NPD6100 Approved
0.7055 Intermediate Similarity NPD6099 Approved
0.7055 Intermediate Similarity NPD1551 Phase 2
0.7044 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7041 Intermediate Similarity NPD920 Approved
0.7019 Intermediate Similarity NPD447 Suspended
0.7017 Intermediate Similarity NPD5953 Discontinued
0.7012 Intermediate Similarity NPD7266 Discontinued
0.6994 Remote Similarity NPD8455 Phase 2
0.6994 Remote Similarity NPD7033 Discontinued
0.6981 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6978 Remote Similarity NPD8368 Discontinued
0.6957 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6947 Remote Similarity NPD8090 Clinical (unspecified phase)
0.6944 Remote Similarity NPD7177 Discontinued
0.6942 Remote Similarity NPD8058 Clinical (unspecified phase)
0.6942 Remote Similarity NPD8059 Phase 3
0.694 Remote Similarity NPD5034 Approved
0.694 Remote Similarity NPD4955 Approved
0.694 Remote Similarity NPD5026 Approved
0.694 Remote Similarity NPD4954 Approved
0.694 Remote Similarity NPD5028 Approved
0.694 Remote Similarity NPD36 Approved
0.6937 Remote Similarity NPD7985 Registered
0.6932 Remote Similarity NPD919 Approved
0.6928 Remote Similarity NPD1243 Approved
0.6923 Remote Similarity NPD642 Clinical (unspecified phase)
0.6914 Remote Similarity NPD5124 Phase 1
0.6914 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6898 Remote Similarity NPD8360 Approved
0.6898 Remote Similarity NPD8361 Approved
0.689 Remote Similarity NPD4308 Phase 3
0.6885 Remote Similarity NPD5030 Phase 2
0.6885 Remote Similarity NPD7240 Approved
0.6882 Remote Similarity NPD5037 Approved
0.6882 Remote Similarity NPD6273 Approved
0.6882 Remote Similarity NPD5038 Approved
0.6865 Remote Similarity NPD8407 Phase 2
0.6848 Remote Similarity NPD2438 Suspended
0.6835 Remote Similarity NPD1164 Approved
0.6832 Remote Similarity NPD411 Approved
0.6828 Remote Similarity NPD5036 Approved
0.6816 Remote Similarity NPD7930 Approved
0.6813 Remote Similarity NPD7286 Phase 2
0.6813 Remote Similarity NPD6832 Phase 2
0.6811 Remote Similarity NPD5035 Approved
0.6809 Remote Similarity NPD8435 Approved
0.6807 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6807 Remote Similarity NPD2344 Approved
0.6805 Remote Similarity NPD643 Clinical (unspecified phase)
0.6802 Remote Similarity NPD7584 Approved
0.68 Remote Similarity NPD5760 Phase 2

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3334760
ZINC  

Physicochemical Properties

Molecular Weight:  430.13
ALogP:  -3.005
MLogP:  2.89
XLogP:  -1.197
# Rotatable Bonds:  8
Polar Surface Area:  150.59
# H-Bond Aceptor:  8
# H-Bond Donor:  4
# Rings:  3
# Heavy Atoms:  31

Download Data

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