Natural Product: NPC164210

Natural Product ID:  NPC164210
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H30O2
Standard InCHIKey:  FCBPGJGLXFXABE-UPQMVPBKSA-N
Standard InCHI:  InChI=1S/C20H30O2/c1-14-11-19-9-5-15-17(2,13-21)7-4-8-18(15,3)16(19)6-10-20(14,22)12-19/h13,15-16,22H,1,4-12H2,2-3H3/t15-,16+,17+,18-,19+,20-/m1/s1
Canonical SMILES:  O=C[C@]1(C)CCC[C@@]2([C@@H]1CC[C@]13[C@H]2CC[C@@](C3)(C(=C)C1)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
NPO33342 Bruguiera gymnorrhiza Species Rhizophoraceae Eukaryota stems Xiamen, China 2002-JUN PMID[15387677]
NPO4507 Bruguiera gymnorhiza Species Rhizophoraceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1460 Cell Line L929 Mus musculus GI50 = 11.5 ug/ml 15387677
NPT111 Cell Line K562 Homo sapiens GI50 = 10.5 ug/ml 15387677
NPT165 Cell Line HeLa Homo sapiens CC50 = 42.3 ug/ml 15387677

  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 NPC164210 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
0.8659 High Similarity NPC264665
0.8659 High Similarity NPC74595
0.8642 High Similarity NPC170985
0.8642 High Similarity NPC145143
0.8642 High Similarity NPC46881
0.8571 High Similarity NPC472497
0.8571 High Similarity NPC476736
0.8571 High Similarity NPC472495
0.8554 High Similarity NPC292553
0.8537 High Similarity NPC472498
0.8519 High Similarity NPC474484
0.8519 High Similarity NPC103754
0.8481 Intermediate Similarity NPC106078
0.8452 Intermediate Similarity NPC269396
0.8452 Intermediate Similarity NPC98236
0.8452 Intermediate Similarity NPC472738
0.8434 Intermediate Similarity NPC263974
0.8415 Intermediate Similarity NPC477858
0.8353 Intermediate Similarity NPC4643
0.8333 Intermediate Similarity NPC199316
0.8333 Intermediate Similarity NPC102313
0.8313 Intermediate Similarity NPC291320
0.8313 Intermediate Similarity NPC475726
0.8313 Intermediate Similarity NPC175410
0.8313 Intermediate Similarity NPC471036
0.8313 Intermediate Similarity NPC472743
0.8276 Intermediate Similarity NPC472476
0.8276 Intermediate Similarity NPC100313
0.8272 Intermediate Similarity NPC201459
0.8256 Intermediate Similarity NPC16377
0.8256 Intermediate Similarity NPC472739
0.825 Intermediate Similarity NPC66105
0.8214 Intermediate Similarity NPC474233
0.8214 Intermediate Similarity NPC474482
0.8214 Intermediate Similarity NPC146683
0.8214 Intermediate Similarity NPC475745
0.8205 Intermediate Similarity NPC330659
0.8205 Intermediate Similarity NPC244708
0.8205 Intermediate Similarity NPC161187
0.8193 Intermediate Similarity NPC110780
0.8171 Intermediate Similarity NPC164999
0.8148 Intermediate Similarity NPC472501
0.8125 Intermediate Similarity NPC38141
0.8118 Intermediate Similarity NPC264317
0.8118 Intermediate Similarity NPC76518
0.8118 Intermediate Similarity NPC294438
0.8118 Intermediate Similarity NPC190704
0.8118 Intermediate Similarity NPC471034
0.8095 Intermediate Similarity NPC118800
0.8095 Intermediate Similarity NPC245866
0.8095 Intermediate Similarity NPC471037
0.809 Intermediate Similarity NPC472496
0.8068 Intermediate Similarity NPC169933
0.8049 Intermediate Similarity NPC215843
0.8046 Intermediate Similarity NPC472483
0.8046 Intermediate Similarity NPC193360
0.8025 Intermediate Similarity NPC212661
0.8025 Intermediate Similarity NPC138502
0.8025 Intermediate Similarity NPC471035
0.8025 Intermediate Similarity NPC307336
0.8025 Intermediate Similarity NPC260301
0.8023 Intermediate Similarity NPC469994
0.8023 Intermediate Similarity NPC70661
0.8023 Intermediate Similarity NPC94755
0.8023 Intermediate Similarity NPC2783
0.8023 Intermediate Similarity NPC472505
0.8023 Intermediate Similarity NPC12774
0.8 Intermediate Similarity NPC280804
0.8 Intermediate Similarity NPC185536
0.8 Intermediate Similarity NPC292793
0.7978 Intermediate Similarity NPC475806
0.7975 Intermediate Similarity NPC472506
0.7955 Intermediate Similarity NPC2983
0.7955 Intermediate Similarity NPC472475
0.7955 Intermediate Similarity NPC116146
0.7955 Intermediate Similarity NPC24772
0.7955 Intermediate Similarity NPC472489
0.7955 Intermediate Similarity NPC309603
0.7955 Intermediate Similarity NPC472477
0.7955 Intermediate Similarity NPC473999
0.7949 Intermediate Similarity NPC163020
0.7931 Intermediate Similarity NPC153604
0.7931 Intermediate Similarity NPC269360
0.7931 Intermediate Similarity NPC33768
0.7931 Intermediate Similarity NPC165895
0.7931 Intermediate Similarity NPC264005
0.7931 Intermediate Similarity NPC259009
0.7931 Intermediate Similarity NPC57469
0.7931 Intermediate Similarity NPC472493
0.7931 Intermediate Similarity NPC174619
0.7927 Intermediate Similarity NPC472499
0.7927 Intermediate Similarity NPC472500
0.7927 Intermediate Similarity NPC301707
0.7927 Intermediate Similarity NPC472342
0.7907 Intermediate Similarity NPC102292
0.7907 Intermediate Similarity NPC471224
0.7901 Intermediate Similarity NPC246445
0.7895 Intermediate Similarity NPC103734
0.7889 Intermediate Similarity NPC59350
0.7882 Intermediate Similarity NPC472740
0.7875 Intermediate Similarity NPC162164
0.7875 Intermediate Similarity NPC38426
0.7865 Intermediate Similarity NPC46758
0.7865 Intermediate Similarity NPC469400
0.7857 Intermediate Similarity NPC328264
0.7848 Intermediate Similarity NPC164045
0.7848 Intermediate Similarity NPC72343
0.7841 Intermediate Similarity NPC4309
0.7841 Intermediate Similarity NPC146937
0.7841 Intermediate Similarity NPC474719
0.7841 Intermediate Similarity NPC471900
0.7831 Intermediate Similarity NPC192744
0.7831 Intermediate Similarity NPC24504
0.7831 Intermediate Similarity NPC476316
0.7816 Intermediate Similarity NPC477579
0.7816 Intermediate Similarity NPC472488
0.7816 Intermediate Similarity NPC475007
0.7816 Intermediate Similarity NPC34190
0.7816 Intermediate Similarity NPC95594
0.7816 Intermediate Similarity NPC80590
0.7816 Intermediate Similarity NPC235341
0.7816 Intermediate Similarity NPC472479
0.7816 Intermediate Similarity NPC187545
0.7805 Intermediate Similarity NPC257191
0.7805 Intermediate Similarity NPC472746
0.7805 Intermediate Similarity NPC68828
0.7805 Intermediate Similarity NPC248830
0.7805 Intermediate Similarity NPC331618
0.7805 Intermediate Similarity NPC212241
0.7805 Intermediate Similarity NPC119355
0.7802 Intermediate Similarity NPC8993
0.7791 Intermediate Similarity NPC59453
0.7791 Intermediate Similarity NPC82902
0.7791 Intermediate Similarity NPC221758
0.7778 Intermediate Similarity NPC39362
0.7778 Intermediate Similarity NPC27349
0.7778 Intermediate Similarity NPC473998
0.7778 Intermediate Similarity NPC3403
0.7778 Intermediate Similarity NPC24014
0.7765 Intermediate Similarity NPC193347
0.7765 Intermediate Similarity NPC151519
0.7753 Intermediate Similarity NPC213832
0.7753 Intermediate Similarity NPC247312
0.7753 Intermediate Similarity NPC469319
0.7753 Intermediate Similarity NPC57954
0.7753 Intermediate Similarity NPC472971
0.7753 Intermediate Similarity NPC271974
0.7753 Intermediate Similarity NPC229871
0.7753 Intermediate Similarity NPC472970
0.7753 Intermediate Similarity NPC220498
0.7753 Intermediate Similarity NPC76879
0.775 Intermediate Similarity NPC279241
0.7742 Intermediate Similarity NPC126815
0.7738 Intermediate Similarity NPC472478
0.7738 Intermediate Similarity NPC47149
0.7738 Intermediate Similarity NPC206735
0.7727 Intermediate Similarity NPC472484
0.7727 Intermediate Similarity NPC474684
0.7727 Intermediate Similarity NPC472482
0.7727 Intermediate Similarity NPC317590
0.7727 Intermediate Similarity NPC134197
0.7727 Intermediate Similarity NPC142361
0.7727 Intermediate Similarity NPC472481
0.7722 Intermediate Similarity NPC45296
0.7722 Intermediate Similarity NPC476731
0.7717 Intermediate Similarity NPC29112
0.7717 Intermediate Similarity NPC271195
0.7711 Intermediate Similarity NPC321690
0.7711 Intermediate Similarity NPC475
0.7711 Intermediate Similarity NPC472502
0.7711 Intermediate Similarity NPC42853
0.7701 Intermediate Similarity NPC474083
0.7701 Intermediate Similarity NPC201655
0.7701 Intermediate Similarity NPC474971
0.7701 Intermediate Similarity NPC474218
0.7692 Intermediate Similarity NPC82138
0.7683 Intermediate Similarity NPC91573
0.7683 Intermediate Similarity NPC104806
0.7674 Intermediate Similarity NPC243347
0.7674 Intermediate Similarity NPC170862
0.7674 Intermediate Similarity NPC215893
0.7667 Intermediate Similarity NPC191684
0.7667 Intermediate Similarity NPC149761
0.7667 Intermediate Similarity NPC183283
0.7667 Intermediate Similarity NPC261994
0.7667 Intermediate Similarity NPC180849
0.7667 Intermediate Similarity NPC320026
0.7667 Intermediate Similarity NPC470378
0.7667 Intermediate Similarity NPC126993
0.7667 Intermediate Similarity NPC48010
0.7667 Intermediate Similarity NPC80401
0.7654 Intermediate Similarity NPC18819
0.7654 Intermediate Similarity NPC308440
0.7654 Intermediate Similarity NPC46610
0.7654 Intermediate Similarity NPC472503
0.7647 Intermediate Similarity NPC157655
0.7647 Intermediate Similarity NPC473217
0.764 Intermediate Similarity NPC328539
0.764 Intermediate Similarity NPC183374
0.764 Intermediate Similarity NPC328313

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC164210 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
0.8313 Intermediate Similarity NPD4788 Approved
0.8118 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7791 Intermediate Similarity NPD4786 Approved
0.7765 Intermediate Similarity NPD4221 Approved
0.7765 Intermediate Similarity NPD4223 Phase 3
0.7765 Intermediate Similarity NPD3667 Approved
0.7692 Intermediate Similarity NPD4202 Approved
0.7692 Intermediate Similarity NPD5360 Phase 3
0.7692 Intermediate Similarity NPD5361 Clinical (unspecified phase)
0.7625 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.7625 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7614 Intermediate Similarity NPD3618 Phase 1
0.7595 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.7595 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.7586 Intermediate Similarity NPD3665 Phase 1
0.7586 Intermediate Similarity NPD4197 Approved
0.7586 Intermediate Similarity NPD3666 Approved
0.7586 Intermediate Similarity NPD3133 Approved
0.7582 Intermediate Similarity NPD8035 Phase 2
0.7582 Intermediate Similarity NPD8034 Phase 2
0.7556 Intermediate Similarity NPD5328 Approved
0.7556 Intermediate Similarity NPD4753 Phase 2
0.75 Intermediate Similarity NPD5329 Approved
0.7447 Intermediate Similarity NPD4697 Phase 3
0.7439 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7423 Intermediate Similarity NPD5211 Phase 2
0.7416 Intermediate Similarity NPD4689 Approved
0.7416 Intermediate Similarity NPD4693 Phase 3
0.7416 Intermediate Similarity NPD4688 Approved
0.7416 Intermediate Similarity NPD4138 Approved
0.7416 Intermediate Similarity NPD4690 Approved
0.7416 Intermediate Similarity NPD5205 Approved
0.7407 Intermediate Similarity NPD4758 Discontinued
0.7391 Intermediate Similarity NPD6079 Approved
0.7375 Intermediate Similarity NPD3698 Phase 2
0.7368 Intermediate Similarity NPD4755 Approved
0.7326 Intermediate Similarity NPD7525 Registered
0.7308 Intermediate Similarity NPD3171 Clinical (unspecified phase)
0.7284 Intermediate Similarity NPD4789 Approved
0.7284 Intermediate Similarity NPD4245 Approved
0.7284 Intermediate Similarity NPD4244 Approved
0.7273 Intermediate Similarity NPD5141 Approved
0.7262 Intermediate Similarity NPD6117 Approved
0.7241 Intermediate Similarity NPD4692 Approved
0.7241 Intermediate Similarity NPD4139 Approved
0.7222 Intermediate Similarity NPD5690 Phase 2
0.7222 Intermediate Similarity NPD4694 Approved
0.7222 Intermediate Similarity NPD4623 Approved
0.7222 Intermediate Similarity NPD4519 Discontinued
0.7222 Intermediate Similarity NPD5280 Approved
0.7216 Intermediate Similarity NPD4700 Approved
0.7216 Intermediate Similarity NPD5286 Approved
0.7216 Intermediate Similarity NPD4696 Approved
0.7216 Intermediate Similarity NPD5285 Approved
0.7215 Intermediate Similarity NPD4224 Phase 2
0.7191 Intermediate Similarity NPD3668 Phase 3
0.7176 Intermediate Similarity NPD6116 Phase 1
0.7158 Intermediate Similarity NPD5210 Approved
0.7158 Intermediate Similarity NPD4629 Approved
0.7143 Intermediate Similarity NPD3703 Phase 2
0.7143 Intermediate Similarity NPD3702 Approved
0.7143 Intermediate Similarity NPD5223 Approved
0.7128 Intermediate Similarity NPD6399 Phase 3
0.7093 Intermediate Similarity NPD6115 Approved
0.7093 Intermediate Similarity NPD3617 Approved
0.7093 Intermediate Similarity NPD6114 Approved
0.7093 Intermediate Similarity NPD6118 Approved
0.7093 Intermediate Similarity NPD6697 Approved
0.7083 Intermediate Similarity NPD5221 Approved
0.7083 Intermediate Similarity NPD5222 Approved
0.7083 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7071 Intermediate Similarity NPD4633 Approved
0.7071 Intermediate Similarity NPD5225 Approved
0.7071 Intermediate Similarity NPD5226 Approved
0.7071 Intermediate Similarity NPD5224 Approved
0.7059 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7041 Intermediate Similarity NPD7640 Approved
0.7041 Intermediate Similarity NPD7639 Approved
0.7033 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7033 Intermediate Similarity NPD5279 Phase 3
0.7021 Intermediate Similarity NPD7515 Phase 2
0.7011 Intermediate Similarity NPD4195 Approved
0.701 Intermediate Similarity NPD6084 Phase 2
0.701 Intermediate Similarity NPD6083 Phase 2
0.701 Intermediate Similarity NPD5173 Approved
0.7 Intermediate Similarity NPD4754 Approved
0.7 Intermediate Similarity NPD5175 Approved
0.7 Intermediate Similarity NPD5174 Approved
0.6988 Remote Similarity NPD4243 Approved
0.6979 Remote Similarity NPD5695 Phase 3
0.6957 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6941 Remote Similarity NPD6942 Approved
0.6941 Remote Similarity NPD7339 Approved
0.6939 Remote Similarity NPD5696 Approved
0.6939 Remote Similarity NPD7638 Approved
0.6897 Remote Similarity NPD3671 Phase 1
0.6897 Remote Similarity NPD5364 Discontinued
0.6882 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6875 Remote Similarity NPD7748 Approved
0.6863 Remote Similarity NPD7128 Approved
0.6863 Remote Similarity NPD4767 Approved
0.6863 Remote Similarity NPD5739 Approved
0.6863 Remote Similarity NPD6402 Approved
0.6863 Remote Similarity NPD4768 Approved
0.6863 Remote Similarity NPD6675 Approved
0.6848 Remote Similarity NPD7334 Approved
0.6848 Remote Similarity NPD5330 Approved
0.6848 Remote Similarity NPD6684 Approved
0.6848 Remote Similarity NPD6098 Approved
0.6848 Remote Similarity NPD7146 Approved
0.6848 Remote Similarity NPD7521 Approved
0.6848 Remote Similarity NPD6409 Approved
0.6842 Remote Similarity NPD5284 Approved
0.6842 Remote Similarity NPD5281 Approved
0.6824 Remote Similarity NPD4784 Approved
0.6824 Remote Similarity NPD4785 Approved
0.6796 Remote Similarity NPD5697 Approved
0.6796 Remote Similarity NPD5701 Approved
0.6786 Remote Similarity NPD6081 Approved
0.6744 Remote Similarity NPD4190 Phase 3
0.6744 Remote Similarity NPD5275 Approved
0.6742 Remote Similarity NPD4748 Discontinued
0.6742 Remote Similarity NPD4695 Discontinued
0.6737 Remote Similarity NPD4096 Approved
0.6731 Remote Similarity NPD6899 Approved
0.6731 Remote Similarity NPD4730 Approved
0.6731 Remote Similarity NPD5128 Approved
0.6731 Remote Similarity NPD6011 Approved
0.6731 Remote Similarity NPD4729 Approved
0.6731 Remote Similarity NPD6881 Approved
0.6731 Remote Similarity NPD7320 Approved
0.6729 Remote Similarity NPD8133 Approved
0.6702 Remote Similarity NPD5208 Approved
0.6702 Remote Similarity NPD5737 Approved
0.6702 Remote Similarity NPD6903 Approved
0.6702 Remote Similarity NPD6672 Approved
0.6667 Remote Similarity NPD6372 Approved
0.6667 Remote Similarity NPD4787 Phase 1
0.6667 Remote Similarity NPD6013 Approved
0.6667 Remote Similarity NPD6012 Approved
0.6667 Remote Similarity NPD7902 Approved
0.6667 Remote Similarity NPD6014 Approved
0.6667 Remote Similarity NPD4747 Approved
0.6667 Remote Similarity NPD6373 Approved
0.6667 Remote Similarity NPD5693 Phase 1
0.6633 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6632 Remote Similarity NPD6080 Approved
0.6632 Remote Similarity NPD6904 Approved
0.6632 Remote Similarity NPD6673 Approved
0.6629 Remote Similarity NPD7645 Phase 2
0.6628 Remote Similarity NPD6924 Approved
0.6628 Remote Similarity NPD6926 Approved
0.6604 Remote Similarity NPD5251 Approved
0.6604 Remote Similarity NPD5250 Approved
0.6604 Remote Similarity NPD5135 Approved
0.6604 Remote Similarity NPD5247 Approved
0.6604 Remote Similarity NPD4634 Approved
0.6604 Remote Similarity NPD5249 Phase 3
0.6604 Remote Similarity NPD7290 Approved
0.6604 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6604 Remote Similarity NPD5169 Approved
0.6604 Remote Similarity NPD5248 Approved
0.6604 Remote Similarity NPD7102 Approved
0.6604 Remote Similarity NPD6883 Approved
0.6598 Remote Similarity NPD5133 Approved
0.6588 Remote Similarity NPD5777 Approved
0.6569 Remote Similarity NPD7632 Discontinued
0.6556 Remote Similarity NPD6931 Approved
0.6556 Remote Similarity NPD6930 Phase 2
0.6548 Remote Similarity NPD4137 Phase 3
0.6548 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6542 Remote Similarity NPD5215 Approved
0.6542 Remote Similarity NPD6650 Approved
0.6542 Remote Similarity NPD8130 Phase 1
0.6542 Remote Similarity NPD6847 Approved
0.6542 Remote Similarity NPD5127 Approved
0.6542 Remote Similarity NPD5217 Approved
0.6542 Remote Similarity NPD6649 Approved
0.6542 Remote Similarity NPD6869 Approved
0.6542 Remote Similarity NPD6617 Approved
0.6542 Remote Similarity NPD5216 Approved
0.6542 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6531 Remote Similarity NPD6001 Approved
0.6526 Remote Similarity NPD4518 Approved
0.6481 Remote Similarity NPD6882 Approved
0.6481 Remote Similarity NPD8297 Approved
0.6477 Remote Similarity NPD6933 Approved
0.6471 Remote Similarity NPD4691 Approved
0.6444 Remote Similarity NPD6929 Approved
0.6429 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6422 Remote Similarity NPD4632 Approved
0.6421 Remote Similarity NPD3573 Approved
0.6415 Remote Similarity NPD5168 Approved
0.6413 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6408 Remote Similarity NPD5091 Approved
0.6396 Remote Similarity NPD7115 Discovery
0.6392 Remote Similarity NPD5207 Approved
0.6392 Remote Similarity NPD5692 Phase 3
0.6381 Remote Similarity NPD6008 Approved
0.6379 Remote Similarity NPD7507 Approved

Structure

External Identifiers

PubChem CID   44584327
ChEMBL   CHEMBL517756
ZINC  

Physicochemical Properties

Molecular Weight:  302.22
ALogP:  0.9305
MLogP:  3.44
XLogP:  4.408
# Rotatable Bonds:  4
Polar Surface Area:  37.3
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  22

Download Data

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