Natural Product: NPC240508

Natural Product ID:  NPC240508
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H22O4
Standard InCHIKey:  YLFXZDORYFPSOA-DLVGZBSQSA-N
Standard InCHI:  InChI=1S/C20H22O4/c1-9-6-11-16(22)14-12(21)7-13-19(2,5-4-10-8-20(10,13)3)15(14)17(23)18(11)24-9/h6,10,13,22-23H,4-5,7-8H2,1-3H3/t10-,13+,19-,20+/m0/s1
Canonical SMILES:  Cc1cc2c(o1)c(O)c1c(c2O)C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@@]2(C)C1
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
NPO24239 Teucrium polium Species Lamiaceae Eukaryota Roots PMID[21084196]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Inhibition = 50 % 17067152
NPT1 Others Radical scavenging activity IC50 = 130000 nM 17988094

  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 NPC240508 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
0.9881 High Similarity NPC246153
0.9708 High Similarity NPC240808
0.9702 High Similarity NPC23553
0.9702 High Similarity NPC77179
0.9586 High Similarity NPC221820
0.9532 High Similarity NPC228209
0.9419 High Similarity NPC8927
0.9302 High Similarity NPC476273
0.9186 High Similarity NPC8127
0.9186 High Similarity NPC49667
0.907 High Similarity NPC476640
0.907 High Similarity NPC65885
0.907 High Similarity NPC82217
0.907 High Similarity NPC216842
0.9059 High Similarity NPC470704
0.9048 High Similarity NPC470694
0.9045 High Similarity NPC295436
0.9034 High Similarity NPC476170
0.9017 High Similarity NPC227906
0.9017 High Similarity NPC287243
0.9012 High Similarity NPC54098
0.9012 High Similarity NPC230619
0.8994 High Similarity NPC270837
0.8994 High Similarity NPC133065
0.8953 High Similarity NPC28042
0.8953 High Similarity NPC476641
0.8947 High Similarity NPC232936
0.8941 High Similarity NPC102372
0.8941 High Similarity NPC39306
0.8935 High Similarity NPC294965
0.8914 High Similarity NPC246877
0.8914 High Similarity NPC297807
0.8908 High Similarity NPC245975
0.8908 High Similarity NPC289244
0.8895 High Similarity NPC213416
0.8895 High Similarity NPC247136
0.8889 High Similarity NPC60848
0.8882 High Similarity NPC236132
0.8882 High Similarity NPC220313
0.8876 High Similarity NPC66288
0.887 High Similarity NPC471842
0.8869 High Similarity NPC100123
0.8851 High Similarity NPC30550
0.8851 High Similarity NPC277510
0.8837 High Similarity NPC126204
0.8837 High Similarity NPC95715
0.8837 High Similarity NPC247973
0.8837 High Similarity NPC50394
0.883 High Similarity NPC37183
0.883 High Similarity NPC25361
0.883 High Similarity NPC473286
0.883 High Similarity NPC326520
0.883 High Similarity NPC36320
0.883 High Similarity NPC45449
0.8824 High Similarity NPC84515
0.8824 High Similarity NPC312056
0.8817 High Similarity NPC235018
0.8817 High Similarity NPC84571
0.8817 High Similarity NPC320359
0.8817 High Similarity NPC228785
0.8817 High Similarity NPC14353
0.8817 High Similarity NPC56085
0.8817 High Similarity NPC119224
0.8817 High Similarity NPC45146
0.8814 High Similarity NPC475996
0.8807 High Similarity NPC98546
0.8793 High Similarity NPC158226
0.8793 High Similarity NPC307286
0.8786 High Similarity NPC202470
0.8786 High Similarity NPC165979
0.8786 High Similarity NPC163130
0.8779 High Similarity NPC277480
0.8779 High Similarity NPC170245
0.8779 High Similarity NPC37870
0.8772 High Similarity NPC263092
0.8772 High Similarity NPC208120
0.8772 High Similarity NPC329669
0.8772 High Similarity NPC472278
0.8772 High Similarity NPC473313
0.8772 High Similarity NPC1706
0.8772 High Similarity NPC39305
0.8772 High Similarity NPC59295
0.8772 High Similarity NPC1755
0.8772 High Similarity NPC18100
0.8772 High Similarity NPC173587
0.8772 High Similarity NPC197168
0.8765 High Similarity NPC258331
0.8765 High Similarity NPC40491
0.8765 High Similarity NPC311740
0.8765 High Similarity NPC32694
0.8765 High Similarity NPC188486
0.8765 High Similarity NPC61010
0.8765 High Similarity NPC278052
0.8765 High Similarity NPC472275
0.8757 High Similarity NPC104682
0.8757 High Similarity NPC196879
0.8757 High Similarity NPC235448
0.8757 High Similarity NPC172770
0.8757 High Similarity NPC185258
0.875 High Similarity NPC274730
0.875 High Similarity NPC471841
0.875 High Similarity NPC138243
0.875 High Similarity NPC142339
0.8743 High Similarity NPC310794
0.8736 High Similarity NPC109827
0.8736 High Similarity NPC101107
0.8736 High Similarity NPC124470
0.8736 High Similarity NPC131866
0.8728 High Similarity NPC478060
0.8728 High Similarity NPC471975
0.8728 High Similarity NPC470374
0.8728 High Similarity NPC470377
0.8728 High Similarity NPC476306
0.8728 High Similarity NPC478059
0.8721 High Similarity NPC472277
0.8721 High Similarity NPC146584
0.8721 High Similarity NPC21016
0.8715 High Similarity NPC71260
0.8713 High Similarity NPC272722
0.8713 High Similarity NPC81679
0.8713 High Similarity NPC238995
0.8713 High Similarity NPC25152
0.8708 High Similarity NPC47883
0.8706 High Similarity NPC80375
0.8706 High Similarity NPC246478
0.8698 High Similarity NPC262286
0.8698 High Similarity NPC199463
0.8698 High Similarity NPC241904
0.8698 High Similarity NPC300727
0.8698 High Similarity NPC37543
0.8698 High Similarity NPC304008
0.8698 High Similarity NPC187745
0.8698 High Similarity NPC79053
0.8698 High Similarity NPC236796
0.8698 High Similarity NPC165977
0.8698 High Similarity NPC36852
0.8698 High Similarity NPC161960
0.8698 High Similarity NPC217677
0.8686 High Similarity NPC28589
0.8686 High Similarity NPC248593
0.8686 High Similarity NPC174700
0.8678 High Similarity NPC475805
0.8678 High Similarity NPC99613
0.8678 High Similarity NPC476637
0.8678 High Similarity NPC49487
0.8671 High Similarity NPC235610
0.8671 High Similarity NPC29160
0.8663 High Similarity NPC205265
0.8663 High Similarity NPC472281
0.8663 High Similarity NPC475985
0.8663 High Similarity NPC236521
0.8663 High Similarity NPC189473
0.8663 High Similarity NPC306321
0.8663 High Similarity NPC303460
0.8663 High Similarity NPC319200
0.8663 High Similarity NPC187491
0.8663 High Similarity NPC29055
0.8663 High Similarity NPC248638
0.8663 High Similarity NPC207690
0.8663 High Similarity NPC23298
0.8663 High Similarity NPC7483
0.8663 High Similarity NPC475055
0.8663 High Similarity NPC41301
0.8663 High Similarity NPC152659
0.8659 High Similarity NPC182693
0.8655 High Similarity NPC472906
0.8655 High Similarity NPC278427
0.8655 High Similarity NPC187354
0.8647 High Similarity NPC476242
0.8647 High Similarity NPC195832
0.8647 High Similarity NPC16935
0.8647 High Similarity NPC46736
0.8644 High Similarity NPC478050
0.8639 High Similarity NPC45131
0.8639 High Similarity NPC3980
0.8639 High Similarity NPC5379
0.8639 High Similarity NPC68093
0.8639 High Similarity NPC472461
0.8639 High Similarity NPC115853
0.8639 High Similarity NPC14561
0.8639 High Similarity NPC180924
0.8639 High Similarity NPC475799
0.8639 High Similarity NPC13779
0.8639 High Similarity NPC77807
0.8639 High Similarity NPC191146
0.8636 High Similarity NPC473834
0.8636 High Similarity NPC117450
0.8636 High Similarity NPC149846
0.8631 High Similarity NPC89474
0.8631 High Similarity NPC273248
0.8629 High Similarity NPC313717
0.8629 High Similarity NPC218533
0.8629 High Similarity NPC315306
0.8629 High Similarity NPC78830
0.8629 High Similarity NPC472276
0.8621 High Similarity NPC234331
0.8621 High Similarity NPC241820
0.8621 High Similarity NPC150131
0.8613 High Similarity NPC26386
0.8613 High Similarity NPC472450

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC240508 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
0.8421 Intermediate Similarity NPD3882 Suspended
0.8412 Intermediate Similarity NPD2801 Approved
0.8352 Intermediate Similarity NPD7473 Discontinued
0.8333 Intermediate Similarity NPD1247 Approved
0.8286 Intermediate Similarity NPD6232 Discontinued
0.8276 Intermediate Similarity NPD5494 Approved
0.8198 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8156 Intermediate Similarity NPD5844 Phase 1
0.814 Intermediate Similarity NPD1934 Approved
0.8107 Intermediate Similarity NPD1512 Approved
0.809 Intermediate Similarity NPD6166 Phase 2
0.809 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.809 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD3818 Discontinued
0.7988 Intermediate Similarity NPD1511 Approved
0.7941 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7933 Intermediate Similarity NPD3926 Phase 2
0.7921 Intermediate Similarity NPD6959 Discontinued
0.7886 Intermediate Similarity NPD1465 Phase 2
0.7853 Intermediate Similarity NPD3749 Approved
0.7841 Intermediate Similarity NPD3817 Phase 2
0.7826 Intermediate Similarity NPD6559 Discontinued
0.7816 Intermediate Similarity NPD6599 Discontinued
0.7809 Intermediate Similarity NPD919 Approved
0.7797 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7784 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7759 Intermediate Similarity NPD3226 Approved
0.7753 Intermediate Similarity NPD7075 Discontinued
0.7751 Intermediate Similarity NPD2800 Approved
0.774 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7733 Intermediate Similarity NPD2532 Approved
0.7733 Intermediate Similarity NPD2533 Approved
0.7733 Intermediate Similarity NPD2534 Approved
0.7725 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7713 Intermediate Similarity NPD8434 Phase 2
0.7684 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7684 Intermediate Similarity NPD7819 Suspended
0.763 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7622 Intermediate Similarity NPD7074 Phase 3
0.7619 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7614 Intermediate Similarity NPD4380 Phase 2
0.7611 Intermediate Similarity NPD6234 Discontinued
0.7581 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7581 Intermediate Similarity NPD6797 Phase 2
0.7571 Intermediate Similarity NPD7411 Suspended
0.7568 Intermediate Similarity NPD7054 Approved
0.7566 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7552 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.754 Intermediate Similarity NPD7251 Discontinued
0.7528 Intermediate Similarity NPD6801 Discontinued
0.7527 Intermediate Similarity NPD7472 Approved
0.75 Intermediate Similarity NPD7808 Phase 3
0.75 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7471 Intermediate Similarity NPD6799 Approved
0.7471 Intermediate Similarity NPD6099 Approved
0.7471 Intermediate Similarity NPD6100 Approved
0.7471 Intermediate Similarity NPD7390 Discontinued
0.7446 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7444 Intermediate Similarity NPD5402 Approved
0.7442 Intermediate Similarity NPD1243 Approved
0.743 Intermediate Similarity NPD37 Approved
0.7427 Intermediate Similarity NPD1471 Phase 3
0.7427 Intermediate Similarity NPD2344 Approved
0.7419 Intermediate Similarity NPD3751 Discontinued
0.7412 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7403 Intermediate Similarity NPD4965 Approved
0.7403 Intermediate Similarity NPD4966 Approved
0.7403 Intermediate Similarity NPD4967 Phase 2
0.7396 Intermediate Similarity NPD1607 Approved
0.7384 Intermediate Similarity NPD1549 Phase 2
0.7384 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7381 Intermediate Similarity NPD943 Approved
0.738 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7374 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7363 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7356 Intermediate Similarity NPD4111 Phase 1
0.7345 Intermediate Similarity NPD920 Approved
0.7337 Intermediate Similarity NPD7199 Phase 2
0.733 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7326 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7326 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7326 Intermediate Similarity NPD2346 Discontinued
0.7326 Intermediate Similarity NPD7228 Approved
0.731 Intermediate Similarity NPD1510 Phase 2
0.7308 Intermediate Similarity NPD7768 Phase 2
0.7299 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7299 Intermediate Similarity NPD3750 Approved
0.7297 Intermediate Similarity NPD3787 Discontinued
0.7286 Intermediate Similarity NPD6779 Approved
0.7286 Intermediate Similarity NPD6780 Approved
0.7286 Intermediate Similarity NPD6778 Approved
0.7286 Intermediate Similarity NPD6777 Approved
0.7286 Intermediate Similarity NPD6776 Approved
0.7286 Intermediate Similarity NPD6781 Approved
0.7286 Intermediate Similarity NPD6782 Approved
0.7278 Intermediate Similarity NPD1240 Approved
0.7267 Intermediate Similarity NPD2935 Discontinued
0.7267 Intermediate Similarity NPD2796 Approved
0.7257 Intermediate Similarity NPD2309 Approved
0.7254 Intermediate Similarity NPD8150 Discontinued
0.7247 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7232 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7204 Intermediate Similarity NPD5710 Approved
0.7204 Intermediate Similarity NPD5711 Approved
0.72 Intermediate Similarity NPD4628 Phase 3
0.719 Intermediate Similarity NPD4665 Approved
0.7188 Intermediate Similarity NPD8313 Approved
0.7188 Intermediate Similarity NPD8312 Approved
0.7178 Intermediate Similarity NPD7435 Discontinued
0.7143 Intermediate Similarity NPD4583 Approved
0.7143 Intermediate Similarity NPD4582 Approved
0.7135 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.7128 Intermediate Similarity NPD2403 Approved
0.7123 Intermediate Similarity NPD7907 Approved
0.7119 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7112 Intermediate Similarity NPD7229 Phase 3
0.711 Intermediate Similarity NPD2799 Discontinued
0.7104 Intermediate Similarity NPD5760 Phase 2
0.7104 Intermediate Similarity NPD5761 Phase 2
0.7094 Intermediate Similarity NPD7698 Approved
0.7094 Intermediate Similarity NPD4002 Approved
0.7094 Intermediate Similarity NPD4004 Approved
0.7094 Intermediate Similarity NPD7697 Approved
0.7094 Intermediate Similarity NPD7696 Phase 3
0.7093 Intermediate Similarity NPD6651 Approved
0.7087 Intermediate Similarity NPD8151 Discontinued
0.7083 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD7871 Phase 2
0.7059 Intermediate Similarity NPD7870 Phase 2
0.7056 Intermediate Similarity NPD5403 Approved
0.7047 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7041 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7039 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7039 Intermediate Similarity NPD7701 Phase 2
0.7035 Intermediate Similarity NPD447 Suspended
0.7035 Intermediate Similarity NPD6534 Approved
0.7035 Intermediate Similarity NPD6535 Approved
0.7035 Intermediate Similarity NPD230 Phase 1
0.7019 Intermediate Similarity NPD7801 Approved
0.7011 Intermediate Similarity NPD3748 Approved
0.7006 Intermediate Similarity NPD7003 Approved
0.7005 Intermediate Similarity NPD4287 Approved
0.7 Intermediate Similarity NPD4625 Phase 3
0.6995 Remote Similarity NPD2493 Approved
0.6995 Remote Similarity NPD2494 Approved
0.6983 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6978 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6978 Remote Similarity NPD7458 Discontinued
0.6971 Remote Similarity NPD7874 Approved
0.6971 Remote Similarity NPD5408 Approved
0.6971 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6971 Remote Similarity NPD1551 Phase 2
0.6971 Remote Similarity NPD5406 Approved
0.6971 Remote Similarity NPD5404 Approved
0.6971 Remote Similarity NPD5405 Approved
0.6966 Remote Similarity NPD6190 Approved
0.6963 Remote Similarity NPD7893 Clinical (unspecified phase)
0.6946 Remote Similarity NPD4580 Approved
0.6944 Remote Similarity NPD5401 Approved
0.6938 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6938 Remote Similarity NPD7783 Phase 2
0.6931 Remote Similarity NPD7700 Phase 2
0.6931 Remote Similarity NPD7699 Phase 2
0.6912 Remote Similarity NPD3450 Approved
0.6912 Remote Similarity NPD3452 Approved
0.6907 Remote Similarity NPD7240 Approved
0.6888 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6884 Remote Similarity NPD2488 Approved
0.6884 Remote Similarity NPD2490 Approved
0.6879 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6879 Remote Similarity NPD1613 Approved
0.6878 Remote Similarity NPD8127 Discontinued
0.6878 Remote Similarity NPD2491 Approved
0.6878 Remote Similarity NPD3057 Approved
0.6878 Remote Similarity NPD6823 Phase 2
0.6875 Remote Similarity NPD2163 Approved
0.6864 Remote Similarity NPD1470 Approved
0.6861 Remote Similarity NPD7048 Phase 3
0.686 Remote Similarity NPD2313 Discontinued
0.6856 Remote Similarity NPD5953 Discontinued
0.6839 Remote Similarity NPD7286 Phase 2
0.6836 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6821 Remote Similarity NPD7685 Pre-registration
0.6821 Remote Similarity NPD3658 Clinical (unspecified phase)
0.682 Remote Similarity NPD5619 Clinical (unspecified phase)
0.6813 Remote Similarity NPD6273 Approved
0.6808 Remote Similarity NPD7047 Phase 3
0.6805 Remote Similarity NPD6696 Suspended
0.6802 Remote Similarity NPD3027 Phase 3
0.6798 Remote Similarity NPD2975 Approved
0.6798 Remote Similarity NPD8090 Clinical (unspecified phase)
0.6798 Remote Similarity NPD2974 Approved
0.6798 Remote Similarity NPD2973 Approved
0.6796 Remote Similarity NPD3533 Approved
0.6796 Remote Similarity NPD3448 Approved
0.6796 Remote Similarity NPD2972 Approved
0.6791 Remote Similarity NPD2296 Approved
0.6782 Remote Similarity NPD4060 Phase 1
0.6763 Remote Similarity NPD3764 Approved

Structure

External Identifiers

PubChem CID   52949744
ChEMBL   CHEMBL1287937
ZINC  

Physicochemical Properties

Molecular Weight:  326.15
ALogP:  -0.1176
MLogP:  3.22
XLogP:  3.666
# Rotatable Bonds:  5
Polar Surface Area:  70.67
# H-Bond Aceptor:  1
# H-Bond Donor:  2
# Rings:  5
# Heavy Atoms:  24

Download Data

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