Natural Product: NPC185208

Natural Product ID:  NPC185208
Common Name:   19-Nor-Abieta-4(18),8,11,13-Tetraen-7-One
IUPAC Name:   (4aS,10aS)-4a-methyl-1-methylidene-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
Synonyms:  
Molecular Formula:   C19H24O
Standard InCHIKey:  SZHJFAKBIDRXRJ-PKOBYXMFSA-N
Standard InCHI:  InChI=1S/C19H24O/c1-12(2)14-7-8-16-15(10-14)18(20)11-17-13(3)6-5-9-19(16,17)4/h7-8,10,12,17H,3,5-6,9,11H2,1-2,4H3/t17-,19+/m0/s1
Canonical SMILES:  C=C1CCC[C@]2([C@H]1CC(=O)c1c2ccc(c1)C(C)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
NPO33340 picea glehni Species Pinaceae Eukaryota Stem barks PMID[10869208]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Inhibition = 96.1 % 16789745
NPT2 Others Unspecified Inhibition = 75.9 % 23819871
NPT2 Others Unspecified Inhibition = 31.6 % 24084296
NPT2 Others Unspecified Inhibition = 0 % 19159272
NPT80 Cell Line Raji Homo sapiens Activity = 70 % 15646539

  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 NPC185208 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 NPC219573
0.967 High Similarity NPC239185
0.9663 High Similarity NPC323420
0.957 High Similarity NPC476993
0.9565 High Similarity NPC134882
0.9457 High Similarity NPC265220
0.9362 High Similarity NPC109514
0.9355 High Similarity NPC75724
0.9326 High Similarity NPC298115
0.9239 High Similarity NPC260233
0.9231 High Similarity NPC153885
0.9231 High Similarity NPC59677
0.9149 High Similarity NPC49994
0.913 High Similarity NPC289883
0.913 High Similarity NPC238219
0.9121 High Similarity NPC133461
0.9022 High Similarity NPC155232
0.9011 High Similarity NPC277277
0.9 High Similarity NPC267262
0.8989 High Similarity NPC160339
0.8989 High Similarity NPC307
0.89 High Similarity NPC470252
0.883 High Similarity NPC472880
0.8817 High Similarity NPC188844
0.8817 High Similarity NPC1682
0.8804 High Similarity NPC173413
0.8804 High Similarity NPC19256
0.8776 High Similarity NPC475939
0.8776 High Similarity NPC474866
0.8776 High Similarity NPC471829
0.8776 High Similarity NPC472691
0.8725 High Similarity NPC265513
0.871 High Similarity NPC125226
0.871 High Similarity NPC284475
0.8696 High Similarity NPC418308
0.8681 High Similarity NPC69057
0.8641 High Similarity NPC280789
0.8587 High Similarity NPC157778
0.8571 High Similarity NPC472879
0.8558 High Similarity NPC93287
0.8515 High Similarity NPC472699
0.8515 High Similarity NPC472700
0.8478 Intermediate Similarity NPC43945
0.8476 Intermediate Similarity NPC471721
0.8431 Intermediate Similarity NPC472695
0.8431 Intermediate Similarity NPC472683
0.8431 Intermediate Similarity NPC472701
0.8431 Intermediate Similarity NPC472696
0.8427 Intermediate Similarity NPC145053
0.84 Intermediate Similarity NPC247976
0.8396 Intermediate Similarity NPC215419
0.8387 Intermediate Similarity NPC153308
0.8381 Intermediate Similarity NPC470253
0.8316 Intermediate Similarity NPC103346
0.8315 Intermediate Similarity NPC285716
0.8315 Intermediate Similarity NPC17408
0.8315 Intermediate Similarity NPC190567
0.8302 Intermediate Similarity NPC326664
0.8222 Intermediate Similarity NPC12936
0.8222 Intermediate Similarity NPC273033
0.8208 Intermediate Similarity NPC143768
0.8172 Intermediate Similarity NPC164526
0.8155 Intermediate Similarity NPC100767
0.8111 Intermediate Similarity NPC71664
0.8105 Intermediate Similarity NPC113307
0.8105 Intermediate Similarity NPC325709
0.81 Intermediate Similarity NPC221825
0.809 Intermediate Similarity NPC285470
0.809 Intermediate Similarity NPC103488
0.809 Intermediate Similarity NPC2785
0.809 Intermediate Similarity NPC36342
0.8065 Intermediate Similarity NPC252067
0.8058 Intermediate Similarity NPC471186
0.8043 Intermediate Similarity NPC215008
0.8043 Intermediate Similarity NPC273758
0.8021 Intermediate Similarity NPC58872
0.802 Intermediate Similarity NPC133809
0.802 Intermediate Similarity NPC136810
0.802 Intermediate Similarity NPC128248
0.8018 Intermediate Similarity NPC202015
0.8 Intermediate Similarity NPC300205
0.8 Intermediate Similarity NPC139901
0.8 Intermediate Similarity NPC151405
0.7978 Intermediate Similarity NPC245966
0.7978 Intermediate Similarity NPC3190
0.7978 Intermediate Similarity NPC249018
0.7961 Intermediate Similarity NPC329282
0.7944 Intermediate Similarity NPC218855
0.7912 Intermediate Similarity NPC164086
0.79 Intermediate Similarity NPC226041
0.787 Intermediate Similarity NPC471481
0.7857 Intermediate Similarity NPC476645
0.7849 Intermediate Similarity NPC39600
0.7849 Intermediate Similarity NPC197581
0.7843 Intermediate Similarity NPC225079
0.7838 Intermediate Similarity NPC323440
0.7838 Intermediate Similarity NPC222968
0.7838 Intermediate Similarity NPC80605
0.7807 Intermediate Similarity NPC167323
0.7807 Intermediate Similarity NPC269923
0.7802 Intermediate Similarity NPC159661
0.7798 Intermediate Similarity NPC234637
0.7798 Intermediate Similarity NPC67377
0.7798 Intermediate Similarity NPC130591
0.7778 Intermediate Similarity NPC186128
0.7778 Intermediate Similarity NPC9796
0.7778 Intermediate Similarity NPC292834
0.7748 Intermediate Similarity NPC469843
0.7742 Intermediate Similarity NPC230068
0.7717 Intermediate Similarity NPC95868
0.7714 Intermediate Similarity NPC474910
0.7714 Intermediate Similarity NPC172483
0.7692 Intermediate Similarity NPC329556
0.7685 Intermediate Similarity NPC474057
0.7672 Intermediate Similarity NPC85511
0.7658 Intermediate Similarity NPC260886
0.7653 Intermediate Similarity NPC26224
0.7642 Intermediate Similarity NPC94751
0.7642 Intermediate Similarity NPC142326
0.7634 Intermediate Similarity NPC100039
0.7615 Intermediate Similarity NPC471189
0.7615 Intermediate Similarity NPC471188
0.7611 Intermediate Similarity NPC472698
0.7611 Intermediate Similarity NPC472697
0.7611 Intermediate Similarity NPC318173
0.7609 Intermediate Similarity NPC272260
0.757 Intermediate Similarity NPC112903
0.757 Intermediate Similarity NPC203732
0.7568 Intermediate Similarity NPC93181
0.7568 Intermediate Similarity NPC474095
0.7565 Intermediate Similarity NPC472981
0.7549 Intermediate Similarity NPC240042
0.7547 Intermediate Similarity NPC134120
0.7528 Intermediate Similarity NPC285679
0.7528 Intermediate Similarity NPC54269
0.7527 Intermediate Similarity NPC477703
0.7527 Intermediate Similarity NPC157055
0.7524 Intermediate Similarity NPC274443
0.7523 Intermediate Similarity NPC137315
0.7523 Intermediate Similarity NPC475002
0.7523 Intermediate Similarity NPC95126
0.7522 Intermediate Similarity NPC61651
0.7522 Intermediate Similarity NPC268930
0.7521 Intermediate Similarity NPC328107
0.7478 Intermediate Similarity NPC77000
0.7478 Intermediate Similarity NPC472679
0.7478 Intermediate Similarity NPC238861
0.7478 Intermediate Similarity NPC232958
0.7478 Intermediate Similarity NPC472680
0.7477 Intermediate Similarity NPC37914
0.7477 Intermediate Similarity NPC83409
0.7477 Intermediate Similarity NPC196673
0.7477 Intermediate Similarity NPC185763
0.7475 Intermediate Similarity NPC303967
0.7475 Intermediate Similarity NPC67585
0.7475 Intermediate Similarity NPC110420
0.7455 Intermediate Similarity NPC66208
0.7447 Intermediate Similarity NPC73978
0.7429 Intermediate Similarity NPC222390
0.7429 Intermediate Similarity NPC244427
0.7417 Intermediate Similarity NPC115797
0.7417 Intermediate Similarity NPC478165
0.7417 Intermediate Similarity NPC478162
0.7417 Intermediate Similarity NPC51448
0.7416 Intermediate Similarity NPC74458
0.7414 Intermediate Similarity NPC476234
0.7411 Intermediate Similarity NPC228936
0.7411 Intermediate Similarity NPC186933
0.7411 Intermediate Similarity NPC217111
0.7407 Intermediate Similarity NPC470007
0.74 Intermediate Similarity NPC220596
0.74 Intermediate Similarity NPC475023
0.74 Intermediate Similarity NPC475059
0.7391 Intermediate Similarity NPC179726
0.7339 Intermediate Similarity NPC192577
0.7328 Intermediate Similarity NPC476225
0.7327 Intermediate Similarity NPC475057
0.732 Intermediate Similarity NPC123476
0.7312 Intermediate Similarity NPC76455
0.7312 Intermediate Similarity NPC137847
0.7303 Intermediate Similarity NPC95289
0.7292 Intermediate Similarity NPC149263
0.7292 Intermediate Similarity NPC324624
0.7281 Intermediate Similarity NPC158157
0.7273 Intermediate Similarity NPC69424
0.7273 Intermediate Similarity NPC84672
0.7273 Intermediate Similarity NPC78364
0.7273 Intermediate Similarity NPC176130
0.7265 Intermediate Similarity NPC144547
0.7257 Intermediate Similarity NPC221275
0.7232 Intermediate Similarity NPC13784
0.7227 Intermediate Similarity NPC51079
0.7227 Intermediate Similarity NPC318067
0.7227 Intermediate Similarity NPC472681
0.7222 Intermediate Similarity NPC167336
0.7216 Intermediate Similarity NPC267704
0.7212 Intermediate Similarity NPC324602
0.7204 Intermediate Similarity NPC329318
0.7204 Intermediate Similarity NPC298023
0.7193 Intermediate Similarity NPC135730

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC185208 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
0.967 High Similarity NPD3495 Discontinued
0.8817 High Similarity NPD7631 Approved
0.871 High Similarity NPD7609 Phase 3
0.8478 Intermediate Similarity NPD650 Approved
0.8222 Intermediate Similarity NPD942 Approved
0.8041 Intermediate Similarity NPD1508 Approved
0.789 Intermediate Similarity NPD5951 Approved
0.785 Intermediate Similarity NPD4141 Clinical (unspecified phase)
0.7838 Intermediate Similarity NPD7610 Discontinued
0.78 Intermediate Similarity NPD1843 Approved
0.7745 Intermediate Similarity NPD2066 Phase 3
0.7717 Intermediate Similarity NPD1507 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD1930 Approved
0.7692 Intermediate Similarity NPD1929 Approved
0.7692 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.7611 Intermediate Similarity NPD7009 Phase 2
0.7596 Intermediate Similarity NPD2193 Phase 2
0.7596 Intermediate Similarity NPD2648 Phase 3
0.7525 Intermediate Similarity NPD6048 Clinical (unspecified phase)
0.7525 Intermediate Similarity NPD6049 Phase 2
0.7478 Intermediate Similarity NPD5836 Discontinued
0.7478 Intermediate Similarity NPD7163 Clinical (unspecified phase)
0.7478 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.7429 Intermediate Similarity NPD1932 Approved
0.7429 Intermediate Similarity NPD2196 Discontinued
0.7414 Intermediate Similarity NPD7457 Clinical (unspecified phase)
0.7387 Intermediate Similarity NPD6858 Approved
0.7387 Intermediate Similarity NPD7094 Approved
0.7353 Intermediate Similarity NPD4094 Approved
0.7347 Intermediate Similarity NPD506 Clinical (unspecified phase)
0.7339 Intermediate Similarity NPD2329 Discontinued
0.7255 Intermediate Similarity NPD5122 Clinical (unspecified phase)
0.7212 Intermediate Similarity NPD4657 Approved
0.7212 Intermediate Similarity NPD4655 Approved
0.7182 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.7172 Intermediate Similarity NPD1087 Approved
0.7167 Intermediate Similarity NPD6330 Clinical (unspecified phase)
0.7157 Intermediate Similarity NPD1088 Approved
0.7119 Intermediate Similarity NPD4879 Approved
0.7103 Intermediate Similarity NPD2171 Approved
0.7103 Intermediate Similarity NPD6027 Approved
0.7103 Intermediate Similarity NPD6024 Approved
0.7064 Intermediate Similarity NPD2197 Approved
0.7064 Intermediate Similarity NPD2192 Approved
0.7064 Intermediate Similarity NPD1677 Discontinued
0.7019 Intermediate Similarity NPD1693 Approved
0.7016 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7016 Intermediate Similarity NPD7008 Discontinued
0.6991 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6972 Remote Similarity NPD2577 Clinical (unspecified phase)
0.697 Remote Similarity NPD5734 Clinical (unspecified phase)
0.6961 Remote Similarity NPD1090 Approved
0.6961 Remote Similarity NPD1089 Approved
0.6961 Remote Similarity NPD1086 Approved
0.6952 Remote Similarity NPD1989 Approved
0.6939 Remote Similarity NPD3971 Phase 1
0.6923 Remote Similarity NPD1563 Approved
0.6905 Remote Similarity NPD7961 Discontinued
0.6897 Remote Similarity NPD3317 Approved
0.6887 Remote Similarity NPD1100 Approved
0.6887 Remote Similarity NPD1099 Approved
0.6881 Remote Similarity NPD3357 Discontinued
0.6869 Remote Similarity NPD4544 Approved
0.6863 Remote Similarity NPD800 Approved
0.686 Remote Similarity NPD4878 Approved
0.6857 Remote Similarity NPD688 Clinical (unspecified phase)
0.6818 Remote Similarity NPD5909 Discontinued
0.6814 Remote Similarity NPD1317 Discontinued
0.6807 Remote Similarity NPD3025 Approved
0.6807 Remote Similarity NPD3024 Approved
0.6754 Remote Similarity NPD2181 Clinical (unspecified phase)
0.675 Remote Similarity NPD3019 Approved
0.6746 Remote Similarity NPD2754 Discontinued
0.6731 Remote Similarity NPD1239 Approved
0.6729 Remote Similarity NPD1565 Approved
0.6729 Remote Similarity NPD1566 Phase 3
0.6729 Remote Similarity NPD1564 Approved
0.6724 Remote Similarity NPD7077 Approved
0.6724 Remote Similarity NPD7076 Approved
0.6721 Remote Similarity NPD3972 Approved
0.6702 Remote Similarity NPD4058 Approved
0.6694 Remote Similarity NPD3026 Approved
0.6694 Remote Similarity NPD3023 Approved
0.6667 Remote Similarity NPD1237 Approved
0.6667 Remote Similarity NPD2508 Discontinued
0.6639 Remote Similarity NPD6287 Discontinued
0.6636 Remote Similarity NPD813 Approved
0.6635 Remote Similarity NPD3672 Approved
0.6635 Remote Similarity NPD3673 Approved
0.6612 Remote Similarity NPD2932 Approved
0.6612 Remote Similarity NPD2345 Approved
0.6612 Remote Similarity NPD4199 Phase 3
0.6604 Remote Similarity NPD1202 Approved
0.6579 Remote Similarity NPD2182 Approved
0.6538 Remote Similarity NPD5346 Phase 2
0.6538 Remote Similarity NPD5347 Phase 2
0.6532 Remote Similarity NPD3550 Clinical (unspecified phase)
0.6532 Remote Similarity NPD3547 Approved
0.6532 Remote Similarity NPD3549 Approved
0.6529 Remote Similarity NPD4196 Clinical (unspecified phase)
0.6522 Remote Similarity NPD664 Approved
0.6519 Remote Similarity NPD7003 Approved
0.6518 Remote Similarity NPD164 Approved
0.6512 Remote Similarity NPD7713 Phase 3
0.6504 Remote Similarity NPD1201 Approved
0.6486 Remote Similarity NPD4803 Discontinued
0.6457 Remote Similarity NPD7084 Phase 3
0.6449 Remote Similarity NPD3980 Approved
0.6449 Remote Similarity NPD2878 Approved
0.6449 Remote Similarity NPD3982 Approved
0.6429 Remote Similarity NPD5653 Discontinued
0.6429 Remote Similarity NPD227 Approved
0.6429 Remote Similarity NPD1470 Approved
0.6429 Remote Similarity NPD225 Approved
0.6423 Remote Similarity NPD3836 Clinical (unspecified phase)
0.6422 Remote Similarity NPD5597 Approved
0.6422 Remote Similarity NPD5598 Approved
0.6408 Remote Similarity NPD9257 Approved
0.6408 Remote Similarity NPD9259 Approved
0.6396 Remote Similarity NPD6354 Discontinued
0.6396 Remote Similarity NPD3135 Clinical (unspecified phase)
0.6385 Remote Similarity NPD1874 Clinical (unspecified phase)
0.6383 Remote Similarity NPD4691 Approved
0.6364 Remote Similarity NPD9490 Approved
0.6354 Remote Similarity NPD4687 Approved
0.6349 Remote Similarity NPD1876 Approved
0.6346 Remote Similarity NPD4793 Discontinued
0.633 Remote Similarity NPD2895 Discontinued
0.633 Remote Similarity NPD3093 Approved
0.6308 Remote Similarity NPD5422 Clinical (unspecified phase)
0.6306 Remote Similarity NPD1238 Approved
0.6306 Remote Similarity NPD7798 Approved
0.6303 Remote Similarity NPD6010 Discontinued
0.6283 Remote Similarity NPD5700 Clinical (unspecified phase)
0.6283 Remote Similarity NPD6647 Phase 2
0.6279 Remote Similarity NPD7055 Discontinued
0.6277 Remote Similarity NPD4137 Phase 3
0.6275 Remote Similarity NPD9491 Approved
0.6264 Remote Similarity NPD675 Discontinued
0.626 Remote Similarity NPD1245 Approved
0.626 Remote Similarity NPD1651 Approved
0.625 Remote Similarity NPD2629 Approved
0.625 Remote Similarity NPD4980 Approved
0.625 Remote Similarity NPD2319 Discontinued
0.625 Remote Similarity NPD2798 Approved
0.6239 Remote Similarity NPD3646 Clinical (unspecified phase)
0.6238 Remote Similarity NPD226 Approved
0.6232 Remote Similarity NPD8239 Clinical (unspecified phase)
0.6231 Remote Similarity NPD6966 Discovery
0.623 Remote Similarity NPD6065 Approved
0.623 Remote Similarity NPD997 Clinical (unspecified phase)
0.6222 Remote Similarity NPD5405 Approved
0.6222 Remote Similarity NPD5404 Approved
0.6222 Remote Similarity NPD5408 Approved
0.6222 Remote Similarity NPD5406 Approved
0.6211 Remote Similarity NPD4747 Approved
0.619 Remote Similarity NPD3355 Approved
0.619 Remote Similarity NPD3356 Approved
0.6187 Remote Similarity NPD7236 Approved
0.6186 Remote Similarity NPD5733 Approved
0.6183 Remote Similarity NPD6766 Clinical (unspecified phase)
0.6176 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6176 Remote Similarity NPD2346 Discontinued
0.6174 Remote Similarity NPD1766 Approved
0.6174 Remote Similarity NPD1767 Approved
0.6174 Remote Similarity NPD1763 Approved
0.6174 Remote Similarity NPD1765 Approved
0.6174 Remote Similarity NPD1761 Approved
0.6172 Remote Similarity NPD3245 Phase 3
0.6172 Remote Similarity NPD3244 Pre-registration
0.6168 Remote Similarity NPD9256 Approved
0.6168 Remote Similarity NPD9258 Approved
0.6161 Remote Similarity NPD742 Approved
0.6148 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6146 Remote Similarity NPD5276 Approved
0.6142 Remote Similarity NPD5158 Clinical (unspecified phase)
0.6142 Remote Similarity NPD182 Clinical (unspecified phase)
0.6142 Remote Similarity NPD5159 Phase 2
0.6142 Remote Similarity NPD5157 Phase 1
0.6139 Remote Similarity NPD3903 Approved
0.6139 Remote Similarity NPD3981 Approved
0.6139 Remote Similarity NPD3979 Approved
0.6139 Remote Similarity NPD3904 Approved
0.6136 Remote Similarity NPD8032 Phase 2
0.6124 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6122 Remote Similarity NPD9716 Approved
0.6117 Remote Similarity NPD4635 Approved
0.6116 Remote Similarity NPD3867 Phase 2
0.6116 Remote Similarity NPD4766 Approved
0.6116 Remote Similarity NPD1246 Approved
0.6111 Remote Similarity NPD1281 Approved
0.6106 Remote Similarity NPD5630 Phase 1
0.6098 Remote Similarity NPD5990 Approved
0.6098 Remote Similarity NPD5991 Approved
0.6095 Remote Similarity NPD3099 Discontinued
0.6094 Remote Similarity NPD1482 Clinical (unspecified phase)
0.6094 Remote Similarity NPD2056 Discontinued
0.6084 Remote Similarity NPD7239 Suspended
0.6071 Remote Similarity NPD466 Approved
0.6071 Remote Similarity NPD5926 Approved

Structure

External Identifiers

PubChem CID   21606525
ChEMBL   CHEMBL496438
ZINC  

Physicochemical Properties

Molecular Weight:  268.18
ALogP:  0.8339
MLogP:  3.44
XLogP:  6.574
# Rotatable Bonds:  4
Polar Surface Area:  17.07
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  20

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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