Natural Product: NPC472372

Natural Product ID:  NPC472372
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C33H42O9
Standard InCHIKey:  RVJHLRGBPGMFRC-OMVMMUDDSA-N
Standard InCHI:  InChI=1S/C33H42O9/c1-17-24(37)14-15-33(8)27(17)28(39-19(3)34)23-16-25(42-31(38)22-12-10-9-11-13-22)18(2)26(32(23,6)7)29(40-20(4)35)30(33)41-21(5)36/h9-13,23-25,27-30,37H,1,14-16H2,2-8H3/t23-,24-,25-,27-,28+,29+,30-,33+/m0/s1
Canonical SMILES:  CC(=O)O[C@@H]1C2=C(C)[C@@H](OC(=O)c3ccccc3)C[C@H](C2(C)C)[C@H]([C@H]2[C@@]([C@H]1OC(=O)C)(C)CC[C@@H](C2=C)O)OC(=O)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
NPO24820 Taxus cuspidata Species Taxaceae Eukaryota Japan PMID[14987066]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Activity = 87 % 16137881

  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 NPC472372 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
1.0 High Similarity NPC472374
0.9478 High Similarity NPC34012
0.9385 High Similarity NPC472394
0.9338 High Similarity NPC38696
0.9231 High Similarity NPC472388
0.9185 High Similarity NPC472547
0.9173 High Similarity NPC477893
0.9154 High Similarity NPC225103
0.9084 High Similarity NPC473443
0.907 High Similarity NPC275576
0.9065 High Similarity NPC474935
0.9062 High Similarity NPC472373
0.9044 High Similarity NPC90614
0.9037 High Similarity NPC39549
0.903 High Similarity NPC477896
0.9 High Similarity NPC169913
0.9 High Similarity NPC217918
0.8993 High Similarity NPC472556
0.8986 High Similarity NPC477894
0.8984 High Similarity NPC12016
0.8978 High Similarity NPC41481
0.8978 High Similarity NPC87448
0.8978 High Similarity NPC27377
0.8978 High Similarity NPC97947
0.8978 High Similarity NPC291599
0.8978 High Similarity NPC118080
0.8978 High Similarity NPC472576
0.8978 High Similarity NPC16912
0.8971 High Similarity NPC472395
0.8971 High Similarity NPC472371
0.8963 High Similarity NPC472545
0.8963 High Similarity NPC472551
0.8955 High Similarity NPC48929
0.8947 High Similarity NPC80599
0.8944 High Similarity NPC197037
0.8923 High Similarity NPC45821
0.8913 High Similarity NPC192658
0.8913 High Similarity NPC472546
0.8905 High Similarity NPC100913
0.8905 High Similarity NPC171207
0.8905 High Similarity NPC87934
0.8905 High Similarity NPC275592
0.8905 High Similarity NPC97667
0.8905 High Similarity NPC162613
0.8873 High Similarity NPC91730
0.8857 High Similarity NPC177940
0.8857 High Similarity NPC473088
0.8857 High Similarity NPC472572
0.8857 High Similarity NPC476973
0.8857 High Similarity NPC171525
0.8857 High Similarity NPC184817
0.8857 High Similarity NPC96903
0.8857 High Similarity NPC472571
0.8857 High Similarity NPC200471
0.8857 High Similarity NPC472575
0.8857 High Similarity NPC471104
0.8857 High Similarity NPC470157
0.8857 High Similarity NPC470159
0.8857 High Similarity NPC70403
0.8857 High Similarity NPC469349
0.8857 High Similarity NPC29704
0.8857 High Similarity NPC472568
0.8857 High Similarity NPC174982
0.8857 High Similarity NPC158663
0.8849 High Similarity NPC163087
0.8846 High Similarity NPC471758
0.8841 High Similarity NPC224491
0.8832 High Similarity NPC9905
0.8819 High Similarity NPC11588
0.8819 High Similarity NPC248265
0.8819 High Similarity NPC229545
0.8819 High Similarity NPC134685
0.8806 High Similarity NPC471880
0.8806 High Similarity NPC209851
0.8794 High Similarity NPC473602
0.8788 High Similarity NPC195224
0.8786 High Similarity NPC472573
0.8786 High Similarity NPC95810
0.8786 High Similarity NPC472570
0.8786 High Similarity NPC475122
0.8786 High Similarity NPC25768
0.8786 High Similarity NPC472569
0.8786 High Similarity NPC57628
0.8786 High Similarity NPC470152
0.8786 High Similarity NPC11685
0.8786 High Similarity NPC241951
0.8786 High Similarity NPC188865
0.8786 High Similarity NPC95265
0.8786 High Similarity NPC34943
0.8786 High Similarity NPC70716
0.8786 High Similarity NPC125106
0.8786 High Similarity NPC475759
0.8786 High Similarity NPC163719
0.8786 High Similarity NPC476974
0.8769 High Similarity NPC469742
0.8768 High Similarity NPC475400
0.8759 High Similarity NPC259144
0.8759 High Similarity NPC114357
0.8759 High Similarity NPC21410
0.8759 High Similarity NPC473670
0.8759 High Similarity NPC155329
0.875 High Similarity NPC291638
0.875 High Similarity NPC17877
0.875 High Similarity NPC472577
0.875 High Similarity NPC195647
0.875 High Similarity NPC473399
0.875 High Similarity NPC473216
0.875 High Similarity NPC66761
0.8723 High Similarity NPC125882
0.8714 High Similarity NPC91703
0.8714 High Similarity NPC95449
0.8712 High Similarity NPC473220
0.8712 High Similarity NPC470753
0.8705 High Similarity NPC266374
0.869 High Similarity NPC219419
0.8681 High Similarity NPC470153
0.8676 High Similarity NPC203486
0.8676 High Similarity NPC474608
0.8671 High Similarity NPC476975
0.8671 High Similarity NPC92293
0.8671 High Similarity NPC471101
0.8671 High Similarity NPC266265
0.8671 High Similarity NPC301556
0.8671 High Similarity NPC270590
0.8662 High Similarity NPC240115
0.8662 High Similarity NPC20255
0.8657 High Similarity NPC147561
0.8643 High Similarity NPC182869
0.8636 High Similarity NPC470765
0.8633 High Similarity NPC473109
0.8633 High Similarity NPC473081
0.8633 High Similarity NPC477904
0.8633 High Similarity NPC473112
0.8633 High Similarity NPC473758
0.8633 High Similarity NPC211137
0.8633 High Similarity NPC473060
0.8633 High Similarity NPC4341
0.8633 High Similarity NPC184747
0.8633 High Similarity NPC48017
0.8633 High Similarity NPC476094
0.8633 High Similarity NPC183270
0.8633 High Similarity NPC43241
0.8633 High Similarity NPC473613
0.8633 High Similarity NPC473085
0.8633 High Similarity NPC200592
0.8633 High Similarity NPC147880
0.8621 High Similarity NPC472548
0.8611 High Similarity NPC7095
0.8611 High Similarity NPC473214
0.8611 High Similarity NPC470245
0.8601 High Similarity NPC281717
0.8601 High Similarity NPC473760
0.8594 High Similarity NPC89324
0.8593 High Similarity NPC72915
0.8593 High Similarity NPC472418
0.8592 High Similarity NPC311825
0.8592 High Similarity NPC92867
0.8592 High Similarity NPC127857
0.8582 High Similarity NPC93632
0.8582 High Similarity NPC477468
0.8571 High Similarity NPC473423
0.8561 High Similarity NPC475652
0.8561 High Similarity NPC214550
0.8561 High Similarity NPC210591
0.8542 High Similarity NPC250046
0.8542 High Similarity NPC60509
0.8542 High Similarity NPC473215
0.8542 High Similarity NPC81698
0.854 High Similarity NPC126516
0.8538 High Similarity NPC300827
0.8538 High Similarity NPC473439
0.8531 High Similarity NPC48599
0.8531 High Similarity NPC312393
0.8531 High Similarity NPC209592
0.8503 High Similarity NPC472549
0.8493 Intermediate Similarity NPC145649
0.8493 Intermediate Similarity NPC469648
0.8493 Intermediate Similarity NPC233581
0.8493 Intermediate Similarity NPC138641
0.8493 Intermediate Similarity NPC477905
0.8493 Intermediate Similarity NPC469647
0.8493 Intermediate Similarity NPC283875
0.8493 Intermediate Similarity NPC327962
0.8493 Intermediate Similarity NPC22571
0.8489 Intermediate Similarity NPC183122
0.8489 Intermediate Similarity NPC283375
0.8483 Intermediate Similarity NPC112216
0.8483 Intermediate Similarity NPC165260
0.8483 Intermediate Similarity NPC161239
0.8483 Intermediate Similarity NPC198455
0.8483 Intermediate Similarity NPC469448
0.8473 Intermediate Similarity NPC473749
0.8472 Intermediate Similarity NPC132652
0.8456 Intermediate Similarity NPC472361
0.8451 Intermediate Similarity NPC270498
0.8451 Intermediate Similarity NPC147217
0.8451 Intermediate Similarity NPC246480
0.8451 Intermediate Similarity NPC473673
0.8451 Intermediate Similarity NPC475429
0.8451 Intermediate Similarity NPC139067

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472372 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
0.8116 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.8082 Intermediate Similarity NPD7236 Approved
0.7987 Intermediate Similarity NPD8470 Clinical (unspecified phase)
0.7933 Intermediate Similarity NPD7239 Suspended
0.7863 Intermediate Similarity NPD2629 Approved
0.784 Intermediate Similarity NPD8368 Discontinued
0.7823 Intermediate Similarity NPD4628 Phase 3
0.7812 Intermediate Similarity NPD7799 Discontinued
0.773 Intermediate Similarity NPD7008 Discontinued
0.7711 Intermediate Similarity NPD8434 Phase 2
0.7697 Intermediate Similarity NPD8407 Phase 2
0.7674 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.7643 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.7619 Intermediate Similarity NPD8361 Approved
0.7619 Intermediate Similarity NPD8360 Approved
0.7605 Intermediate Similarity NPD8424 Clinical (unspecified phase)
0.7594 Intermediate Similarity NPD5951 Approved
0.7584 Intermediate Similarity NPD8166 Discontinued
0.7515 Intermediate Similarity NPD8435 Approved
0.75 Intermediate Similarity NPD8127 Discontinued
0.7468 Intermediate Similarity NPD7058 Phase 2
0.7468 Intermediate Similarity NPD7057 Phase 3
0.7424 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7407 Intermediate Similarity NPD4198 Discontinued
0.7405 Intermediate Similarity NPD2182 Approved
0.7391 Intermediate Similarity NPD7163 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.7372 Intermediate Similarity NPD7741 Discontinued
0.7356 Intermediate Similarity NPD8485 Approved
0.7338 Intermediate Similarity NPD6273 Approved
0.731 Intermediate Similarity NPD3764 Approved
0.7308 Intermediate Similarity NPD7458 Discontinued
0.7267 Intermediate Similarity NPD7702 Clinical (unspecified phase)
0.726 Intermediate Similarity NPD7961 Discontinued
0.7237 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7237 Intermediate Similarity NPD7003 Approved
0.7233 Intermediate Similarity NPD7819 Suspended
0.7232 Intermediate Similarity NPD8486 Clinical (unspecified phase)
0.7211 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.7197 Intermediate Similarity NPD6591 Clinical (unspecified phase)
0.7193 Intermediate Similarity NPD8150 Discontinued
0.7171 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7164 Intermediate Similarity NPD4141 Clinical (unspecified phase)
0.7163 Intermediate Similarity NPD6287 Discontinued
0.7143 Intermediate Similarity NPD6663 Approved
0.7143 Intermediate Similarity NPD5126 Approved
0.7143 Intermediate Similarity NPD5125 Phase 3
0.7133 Intermediate Similarity NPD7305 Phase 1
0.7126 Intermediate Similarity NPD5844 Phase 1
0.7122 Intermediate Similarity NPD9545 Approved
0.7118 Intermediate Similarity NPD8313 Approved
0.7118 Intermediate Similarity NPD8312 Approved
0.7103 Intermediate Similarity NPD5736 Approved
0.7099 Intermediate Similarity NPD164 Approved
0.7099 Intermediate Similarity NPD7075 Discontinued
0.7092 Intermediate Similarity NPD7457 Clinical (unspecified phase)
0.7089 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7089 Intermediate Similarity NPD3226 Approved
0.7063 Intermediate Similarity NPD37 Approved
0.7059 Intermediate Similarity NPD6858 Approved
0.7059 Intermediate Similarity NPD7094 Approved
0.7054 Intermediate Similarity NPD1238 Approved
0.7051 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7044 Intermediate Similarity NPD4380 Phase 2
0.7039 Intermediate Similarity NPD2346 Discontinued
0.7037 Intermediate Similarity NPD4965 Approved
0.7037 Intermediate Similarity NPD4967 Phase 2
0.7037 Intermediate Similarity NPD4966 Approved
0.7023 Intermediate Similarity NPD1930 Approved
0.7023 Intermediate Similarity NPD1929 Approved
0.7023 Intermediate Similarity NPD6647 Phase 2
0.7023 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.7019 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7013 Intermediate Similarity NPD3750 Approved
0.7011 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD7473 Discontinued
0.7 Intermediate Similarity NPD6764 Approved
0.7 Intermediate Similarity NPD6765 Approved
0.6974 Remote Similarity NPD2935 Discontinued
0.697 Remote Similarity NPD1237 Approved
0.697 Remote Similarity NPD5909 Discontinued
0.6968 Remote Similarity NPD6190 Approved
0.6968 Remote Similarity NPD7274 Clinical (unspecified phase)
0.6957 Remote Similarity NPD690 Clinical (unspecified phase)
0.6957 Remote Similarity NPD6801 Discontinued
0.6937 Remote Similarity NPD6599 Discontinued
0.6936 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6933 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6933 Remote Similarity NPD7768 Phase 2
0.6933 Remote Similarity NPD6355 Discontinued
0.6932 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6928 Remote Similarity NPD6232 Discontinued
0.6928 Remote Similarity NPD7266 Discontinued
0.6923 Remote Similarity NPD2066 Phase 3
0.6914 Remote Similarity NPD8455 Phase 2
0.6914 Remote Similarity NPD5760 Phase 2
0.6914 Remote Similarity NPD5761 Phase 2
0.6913 Remote Similarity NPD7715 Approved
0.6913 Remote Similarity NPD7714 Approved
0.6908 Remote Similarity NPD2799 Discontinued
0.6887 Remote Similarity NPD3528 Clinical (unspecified phase)
0.6884 Remote Similarity NPD6010 Discontinued
0.6871 Remote Similarity NPD5402 Approved
0.6871 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6863 Remote Similarity NPD5404 Approved
0.6863 Remote Similarity NPD5406 Approved
0.6863 Remote Similarity NPD5408 Approved
0.6863 Remote Similarity NPD5405 Approved
0.6863 Remote Similarity NPD2438 Suspended
0.6861 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6855 Remote Similarity NPD5403 Approved
0.6848 Remote Similarity NPD6234 Discontinued
0.6846 Remote Similarity NPD2313 Discontinued
0.6839 Remote Similarity NPD6784 Approved
0.6839 Remote Similarity NPD6785 Approved
0.6838 Remote Similarity NPD2067 Discontinued
0.6835 Remote Similarity NPD2534 Approved
0.6835 Remote Similarity NPD2532 Approved
0.6835 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6835 Remote Similarity NPD2533 Approved
0.6821 Remote Similarity NPD230 Phase 1
0.6818 Remote Similarity NPD6002 Phase 3
0.6818 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6818 Remote Similarity NPD5762 Approved
0.6818 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6818 Remote Similarity NPD6005 Phase 3
0.6818 Remote Similarity NPD6004 Phase 3
0.6818 Remote Similarity NPD5763 Approved
0.6818 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6809 Remote Similarity NPD7610 Discontinued
0.6806 Remote Similarity NPD4806 Approved
0.6806 Remote Similarity NPD4807 Approved
0.6803 Remote Similarity NPD5740 Clinical (unspecified phase)
0.6803 Remote Similarity NPD6085 Phase 2
0.6802 Remote Similarity NPD7685 Pre-registration
0.6802 Remote Similarity NPD6559 Discontinued
0.68 Remote Similarity NPD8032 Phase 2
0.68 Remote Similarity NPD7713 Phase 3
0.6797 Remote Similarity NPD3748 Approved
0.6795 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6795 Remote Similarity NPD4110 Phase 3
0.6791 Remote Similarity NPD5048 Discontinued
0.679 Remote Similarity NPD7411 Suspended
0.6788 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6783 Remote Similarity NPD2932 Approved
0.6783 Remote Similarity NPD5306 Approved
0.6783 Remote Similarity NPD5305 Approved
0.6781 Remote Similarity NPD1283 Approved
0.6774 Remote Similarity NPD970 Clinical (unspecified phase)
0.6772 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6765 Remote Similarity NPD7228 Approved
0.6759 Remote Similarity NPD1608 Approved
0.6755 Remote Similarity NPD2979 Phase 3
0.6755 Remote Similarity NPD4140 Approved
0.6747 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6741 Remote Similarity NPD6685 Approved
0.6735 Remote Similarity NPD2797 Approved
0.6735 Remote Similarity NPD1470 Approved
0.6733 Remote Similarity NPD6798 Discontinued
0.6732 Remote Similarity NPD7097 Phase 1
0.673 Remote Similarity NPD7422 Clinical (unspecified phase)
0.673 Remote Similarity NPD5401 Approved
0.6725 Remote Similarity NPD7804 Clinical (unspecified phase)
0.672 Remote Similarity NPD8462 Phase 1
0.6718 Remote Similarity NPD9495 Approved
0.6711 Remote Similarity NPD6832 Phase 2
0.6707 Remote Similarity NPD2393 Clinical (unspecified phase)
0.669 Remote Similarity NPD1201 Approved
0.6689 Remote Similarity NPD2798 Approved
0.6688 Remote Similarity NPD4308 Phase 3
0.6667 Remote Similarity NPD3817 Phase 2
0.6667 Remote Similarity NPD7095 Approved
0.6667 Remote Similarity NPD8404 Phase 2
0.6667 Remote Similarity NPD3019 Approved
0.6667 Remote Similarity NPD6799 Approved
0.6667 Remote Similarity NPD8651 Approved
0.6667 Remote Similarity NPD7798 Approved
0.6667 Remote Similarity NPD5122 Clinical (unspecified phase)
0.6647 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6647 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6646 Remote Similarity NPD1934 Approved
0.6645 Remote Similarity NPD1551 Phase 2
0.6645 Remote Similarity NPD6100 Approved
0.6645 Remote Similarity NPD6099 Approved
0.6645 Remote Similarity NPD4060 Phase 1
0.6644 Remote Similarity NPD3972 Approved
0.6643 Remote Similarity NPD4869 Clinical (unspecified phase)
0.6625 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6623 Remote Similarity NPD3268 Approved
0.6623 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6621 Remote Similarity NPD4106 Approved
0.6621 Remote Similarity NPD4136 Approved
0.6621 Remote Similarity NPD4135 Approved
0.662 Remote Similarity NPD9493 Approved
0.6613 Remote Similarity NPD8320 Phase 1
0.6613 Remote Similarity NPD8319 Approved
0.659 Remote Similarity NPD7074 Phase 3
0.6589 Remote Similarity NPD1088 Approved
0.6582 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6581 Remote Similarity NPD7033 Discontinued

Structure

External Identifiers

PubChem CID   44351349
ChEMBL   CHEMBL339622
ZINC  

Physicochemical Properties

Molecular Weight:  582.28
ALogP:  0.9629
MLogP:  4.1
XLogP:  5.271
# Rotatable Bonds:  17
Polar Surface Area:  125.43
# H-Bond Aceptor:  9
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  42

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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