Natural Product: NPC329763

Natural Product ID:  NPC329763
Common Name:   Nanolobatin A
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H32O2
Standard InCHIKey:  VCVYZWRQVJYDDM-SBYABAKDSA-N
Standard InCHI:  InChI=1S/C20H32O2/c1-14(13-21)6-5-10-19(3)12-16-15(2)7-8-18-20(4,22-18)11-9-17(16)19/h6,16-18,21H,2,5,7-13H2,1,3-4H3/b14-6+/t16-,17-,18-,19-,20-/m0/s1
Canonical SMILES:  C[C@]1(CC/C=C(/CO)C)C[C@@H]2[C@@H]1CC[C@]1(C)O[C@H]1CCC2=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
NPO22870 Sinularia nanolobata Species Alcyoniidae Eukaryota PMID[15104488]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT91 Cell Line KB Homo sapiens ED50 = 7.3 ug/ml 1965200
NPT2 Others Unspecified ED50 = 4.6 ug/ml 1965200

  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 NPC329763 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
0.8451 Intermediate Similarity NPC329989
0.8451 Intermediate Similarity NPC239373
0.8429 Intermediate Similarity NPC259299
0.8382 Intermediate Similarity NPC473759
0.8382 Intermediate Similarity NPC474155
0.831 Intermediate Similarity NPC305698
0.8194 Intermediate Similarity NPC304690
0.8194 Intermediate Similarity NPC74722
0.8169 Intermediate Similarity NPC161612
0.8169 Intermediate Similarity NPC33583
0.8101 Intermediate Similarity NPC145963
0.8026 Intermediate Similarity NPC310643
0.8 Intermediate Similarity NPC309300
0.7973 Intermediate Similarity NPC471662
0.7941 Intermediate Similarity NPC122239
0.7941 Intermediate Similarity NPC475931
0.7922 Intermediate Similarity NPC476703
0.791 Intermediate Similarity NPC27853
0.791 Intermediate Similarity NPC65786
0.791 Intermediate Similarity NPC13789
0.791 Intermediate Similarity NPC7491
0.791 Intermediate Similarity NPC101285
0.7887 Intermediate Similarity NPC19569
0.7857 Intermediate Similarity NPC50435
0.7838 Intermediate Similarity NPC34834
0.7821 Intermediate Similarity NPC476314
0.7792 Intermediate Similarity NPC268111
0.7763 Intermediate Similarity NPC471525
0.7763 Intermediate Similarity NPC471659
0.7763 Intermediate Similarity NPC190859
0.7746 Intermediate Similarity NPC140233
0.7746 Intermediate Similarity NPC300593
0.7746 Intermediate Similarity NPC287744
0.7703 Intermediate Similarity NPC474248
0.7703 Intermediate Similarity NPC471560
0.7683 Intermediate Similarity NPC474047
0.7671 Intermediate Similarity NPC477791
0.7671 Intermediate Similarity NPC136813
0.7671 Intermediate Similarity NPC114651
0.7671 Intermediate Similarity NPC69649
0.7671 Intermediate Similarity NPC68703
0.7639 Intermediate Similarity NPC308844
0.7632 Intermediate Similarity NPC130665
0.7632 Intermediate Similarity NPC476709
0.7612 Intermediate Similarity NPC223604
0.7595 Intermediate Similarity NPC477089
0.7595 Intermediate Similarity NPC475980
0.7571 Intermediate Similarity NPC66020
0.7568 Intermediate Similarity NPC224532
0.7568 Intermediate Similarity NPC167527
0.7564 Intermediate Similarity NPC271070
0.7564 Intermediate Similarity NPC170148
0.7561 Intermediate Similarity NPC475789
0.7536 Intermediate Similarity NPC181872
0.7536 Intermediate Similarity NPC226848
0.7534 Intermediate Similarity NPC267027
0.7532 Intermediate Similarity NPC144995
0.7532 Intermediate Similarity NPC227814
0.7532 Intermediate Similarity NPC476366
0.7532 Intermediate Similarity NPC306727
0.7532 Intermediate Similarity NPC201048
0.7531 Intermediate Similarity NPC472471
0.75 Intermediate Similarity NPC225415
0.75 Intermediate Similarity NPC107540
0.75 Intermediate Similarity NPC325869
0.7468 Intermediate Similarity NPC474826
0.7468 Intermediate Similarity NPC470711
0.7468 Intermediate Similarity NPC40049
0.7468 Intermediate Similarity NPC477427
0.7468 Intermediate Similarity NPC477426
0.7468 Intermediate Similarity NPC476007
0.7468 Intermediate Similarity NPC470758
0.7468 Intermediate Similarity NPC471454
0.7468 Intermediate Similarity NPC477425
0.7468 Intermediate Similarity NPC84360
0.7465 Intermediate Similarity NPC475251
0.7465 Intermediate Similarity NPC210346
0.7463 Intermediate Similarity NPC286752
0.7439 Intermediate Similarity NPC472465
0.7439 Intermediate Similarity NPC155521
0.7436 Intermediate Similarity NPC32832
0.7432 Intermediate Similarity NPC73603
0.7432 Intermediate Similarity NPC171225
0.7407 Intermediate Similarity NPC474592
0.7397 Intermediate Similarity NPC238352
0.7397 Intermediate Similarity NPC61503
0.7397 Intermediate Similarity NPC477009
0.7368 Intermediate Similarity NPC4299
0.7368 Intermediate Similarity NPC129630
0.7361 Intermediate Similarity NPC473508
0.7349 Intermediate Similarity NPC472473
0.7342 Intermediate Similarity NPC476607
0.7342 Intermediate Similarity NPC265588
0.7342 Intermediate Similarity NPC470749
0.7342 Intermediate Similarity NPC471658
0.7333 Intermediate Similarity NPC471238
0.7333 Intermediate Similarity NPC96484
0.7324 Intermediate Similarity NPC127824
0.7324 Intermediate Similarity NPC99487
0.7324 Intermediate Similarity NPC471081
0.7324 Intermediate Similarity NPC240506
0.7317 Intermediate Similarity NPC471661
0.7297 Intermediate Similarity NPC476406
0.7286 Intermediate Similarity NPC155025
0.7284 Intermediate Similarity NPC242767
0.7284 Intermediate Similarity NPC233295
0.7273 Intermediate Similarity NPC472254
0.7273 Intermediate Similarity NPC471660
0.7273 Intermediate Similarity NPC167706
0.7273 Intermediate Similarity NPC471272
0.7273 Intermediate Similarity NPC477792
0.7262 Intermediate Similarity NPC306951
0.726 Intermediate Similarity NPC290367
0.725 Intermediate Similarity NPC476439
0.725 Intermediate Similarity NPC91594
0.7237 Intermediate Similarity NPC90115
0.7237 Intermediate Similarity NPC9942
0.7237 Intermediate Similarity NPC473893
0.7237 Intermediate Similarity NPC217570
0.7237 Intermediate Similarity NPC101622
0.7222 Intermediate Similarity NPC225342
0.7222 Intermediate Similarity NPC321867
0.7222 Intermediate Similarity NPC68679
0.7222 Intermediate Similarity NPC207007
0.7215 Intermediate Similarity NPC474885
0.7215 Intermediate Similarity NPC113639
0.7215 Intermediate Similarity NPC60818
0.7215 Intermediate Similarity NPC23231
0.7209 Intermediate Similarity NPC474765
0.72 Intermediate Similarity NPC472255
0.72 Intermediate Similarity NPC472253
0.7183 Intermediate Similarity NPC143810
0.7183 Intermediate Similarity NPC83838
0.7183 Intermediate Similarity NPC5698
0.7179 Intermediate Similarity NPC234527
0.7179 Intermediate Similarity NPC14352
0.716 Intermediate Similarity NPC474005
0.716 Intermediate Similarity NPC167891
0.716 Intermediate Similarity NPC83351
0.7159 Intermediate Similarity NPC472466
0.7143 Intermediate Similarity NPC23748
0.7125 Intermediate Similarity NPC236228
0.7125 Intermediate Similarity NPC256720
0.7125 Intermediate Similarity NPC476317
0.7125 Intermediate Similarity NPC126969
0.7125 Intermediate Similarity NPC472472
0.7125 Intermediate Similarity NPC253190
0.7125 Intermediate Similarity NPC244488
0.7125 Intermediate Similarity NPC247325
0.7123 Intermediate Similarity NPC474480
0.7108 Intermediate Similarity NPC474894
0.7108 Intermediate Similarity NPC264245
0.7108 Intermediate Similarity NPC249423
0.7105 Intermediate Similarity NPC208999
0.7105 Intermediate Similarity NPC470040
0.7093 Intermediate Similarity NPC255143
0.7093 Intermediate Similarity NPC281316
0.7089 Intermediate Similarity NPC329090
0.7089 Intermediate Similarity NPC309178
0.7089 Intermediate Similarity NPC27395
0.7083 Intermediate Similarity NPC323153
0.7079 Intermediate Similarity NPC472468
0.7073 Intermediate Similarity NPC476701
0.7073 Intermediate Similarity NPC209430
0.7073 Intermediate Similarity NPC81306
0.7073 Intermediate Similarity NPC28862
0.7073 Intermediate Similarity NPC47982
0.7073 Intermediate Similarity NPC143182
0.7073 Intermediate Similarity NPC109546
0.7073 Intermediate Similarity NPC471537
0.7073 Intermediate Similarity NPC84694
0.7073 Intermediate Similarity NPC30986
0.7067 Intermediate Similarity NPC311736
0.7067 Intermediate Similarity NPC279434
0.7067 Intermediate Similarity NPC162309
0.7067 Intermediate Similarity NPC272125
0.7067 Intermediate Similarity NPC202017
0.7067 Intermediate Similarity NPC326310
0.7059 Intermediate Similarity NPC474496
0.7059 Intermediate Similarity NPC102048
0.7059 Intermediate Similarity NPC160517
0.7059 Intermediate Similarity NPC78673
0.7059 Intermediate Similarity NPC186155
0.7059 Intermediate Similarity NPC165755
0.7051 Intermediate Similarity NPC471268
0.7051 Intermediate Similarity NPC23954
0.7051 Intermediate Similarity NPC242001
0.7051 Intermediate Similarity NPC471271
0.7037 Intermediate Similarity NPC31037
0.7037 Intermediate Similarity NPC283619
0.7027 Intermediate Similarity NPC96793
0.7027 Intermediate Similarity NPC323424
0.7024 Intermediate Similarity NPC109938
0.7024 Intermediate Similarity NPC471408
0.7024 Intermediate Similarity NPC122945
0.7024 Intermediate Similarity NPC259858
0.7024 Intermediate Similarity NPC218616
0.7024 Intermediate Similarity NPC49964
0.7024 Intermediate Similarity NPC87489
0.7024 Intermediate Similarity NPC296701

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC329763 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
0.7222 Intermediate Similarity NPD368 Approved
0.7143 Intermediate Similarity NPD6695 Phase 3
0.7089 Intermediate Similarity NPD6926 Approved
0.7089 Intermediate Similarity NPD6924 Approved
0.7059 Intermediate Similarity NPD7338 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD8264 Approved
0.6988 Remote Similarity NPD6930 Phase 2
0.6988 Remote Similarity NPD6931 Approved
0.6951 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6914 Remote Similarity NPD6933 Approved
0.6867 Remote Similarity NPD6929 Approved
0.6857 Remote Similarity NPD342 Phase 1
0.6818 Remote Similarity NPD7524 Approved
0.6818 Remote Similarity NPD7750 Discontinued
0.6786 Remote Similarity NPD7332 Phase 2
0.6786 Remote Similarity NPD7514 Phase 3
0.6711 Remote Similarity NPD2685 Clinical (unspecified phase)
0.6706 Remote Similarity NPD6902 Approved
0.6667 Remote Similarity NPD7645 Phase 2
0.6627 Remote Similarity NPD6925 Approved
0.6627 Remote Similarity NPD5776 Phase 2
0.6591 Remote Similarity NPD6893 Approved
0.6588 Remote Similarity NPD7509 Discontinued
0.6588 Remote Similarity NPD7525 Registered
0.6585 Remote Similarity NPD6942 Approved
0.6585 Remote Similarity NPD7339 Approved
0.6582 Remote Similarity NPD6922 Approved
0.6582 Remote Similarity NPD6923 Approved
0.6548 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6548 Remote Similarity NPD7145 Approved
0.6522 Remote Similarity NPD7087 Discontinued
0.6512 Remote Similarity NPD6898 Phase 1
0.6506 Remote Similarity NPD3701 Clinical (unspecified phase)
0.65 Remote Similarity NPD7144 Approved
0.65 Remote Similarity NPD7143 Approved
0.6444 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6429 Remote Similarity NPD6932 Approved
0.642 Remote Similarity NPD7150 Approved
0.642 Remote Similarity NPD7151 Approved
0.642 Remote Similarity NPD7152 Approved
0.6395 Remote Similarity NPD4820 Approved
0.6395 Remote Similarity NPD4819 Approved
0.6395 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6395 Remote Similarity NPD4822 Approved
0.6395 Remote Similarity NPD4821 Approved
0.6364 Remote Similarity NPD7154 Phase 3
0.6364 Remote Similarity NPD5362 Discontinued
0.6341 Remote Similarity NPD4732 Discontinued
0.6301 Remote Similarity NPD4219 Approved
0.6279 Remote Similarity NPD6683 Phase 2
0.6269 Remote Similarity NPD4265 Approved
0.6237 Remote Similarity NPD7838 Discovery
0.6222 Remote Similarity NPD6082 Clinical (unspecified phase)
0.622 Remote Similarity NPD4243 Approved
0.618 Remote Similarity NPD5331 Approved
0.618 Remote Similarity NPD5332 Approved
0.617 Remote Similarity NPD7637 Suspended
0.6163 Remote Similarity NPD4271 Approved
0.6163 Remote Similarity NPD4268 Approved
0.6162 Remote Similarity NPD5344 Discontinued
0.6136 Remote Similarity NPD4790 Discontinued
0.6111 Remote Similarity NPD4786 Approved
0.6111 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6105 Remote Similarity NPD5779 Approved
0.6105 Remote Similarity NPD5778 Approved
0.6071 Remote Similarity NPD4785 Approved
0.6071 Remote Similarity NPD4784 Approved
0.6067 Remote Similarity NPD3667 Approved
0.6067 Remote Similarity NPD4270 Approved
0.6067 Remote Similarity NPD4269 Approved
0.6064 Remote Similarity NPD6698 Approved
0.6064 Remote Similarity NPD46 Approved
0.6064 Remote Similarity NPD5785 Approved
0.6061 Remote Similarity NPD7639 Approved
0.6061 Remote Similarity NPD7640 Approved
0.6 Remote Similarity NPD6411 Approved
0.5978 Remote Similarity NPD5786 Approved
0.596 Remote Similarity NPD7638 Approved
0.596 Remote Similarity NPD4225 Approved
0.5957 Remote Similarity NPD6051 Approved
0.5955 Remote Similarity NPD5369 Approved
0.5934 Remote Similarity NPD3666 Approved
0.5934 Remote Similarity NPD3665 Phase 1
0.5934 Remote Similarity NPD3133 Approved
0.5914 Remote Similarity NPD4251 Approved
0.5914 Remote Similarity NPD4250 Approved
0.59 Remote Similarity NPD6648 Approved
0.5889 Remote Similarity NPD6435 Approved
0.587 Remote Similarity NPD5363 Approved
0.587 Remote Similarity NPD1696 Phase 3
0.5849 Remote Similarity NPD6371 Approved
0.5843 Remote Similarity NPD4748 Discontinued
0.5843 Remote Similarity NPD4252 Approved
0.5833 Remote Similarity NPD7983 Approved
0.5814 Remote Similarity NPD5275 Approved
0.5814 Remote Similarity NPD8039 Approved
0.5814 Remote Similarity NPD4190 Phase 3
0.5806 Remote Similarity NPD5279 Phase 3
0.5806 Remote Similarity NPD4249 Approved
0.5806 Remote Similarity NPD4519 Discontinued
0.5806 Remote Similarity NPD4623 Approved
0.5806 Remote Similarity NPD3618 Phase 1
0.5802 Remote Similarity NPD7331 Phase 2
0.5789 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5789 Remote Similarity NPD6101 Approved
0.5789 Remote Similarity NPD5328 Approved
0.5773 Remote Similarity NPD6399 Phase 3
0.5769 Remote Similarity NPD4246 Clinical (unspecified phase)
0.575 Remote Similarity NPD5325 Clinical (unspecified phase)
0.573 Remote Similarity NPD4195 Approved
0.5729 Remote Similarity NPD3168 Discontinued
0.5729 Remote Similarity NPD7136 Phase 2
0.5714 Remote Similarity NPD4752 Clinical (unspecified phase)
0.5714 Remote Similarity NPD5282 Discontinued
0.5714 Remote Similarity NPD7748 Approved
0.5714 Remote Similarity NPD5209 Approved
0.57 Remote Similarity NPD6084 Phase 2
0.57 Remote Similarity NPD6083 Phase 2
0.5686 Remote Similarity NPD4159 Approved
0.5679 Remote Similarity NPD7341 Phase 2
0.5676 Remote Similarity NPD7115 Discovery
0.567 Remote Similarity NPD7515 Phase 2
0.567 Remote Similarity NPD6079 Approved
0.5667 Remote Similarity NPD5368 Approved
0.5657 Remote Similarity NPD1698 Clinical (unspecified phase)
0.5652 Remote Similarity NPD6110 Phase 1
0.5644 Remote Similarity NPD8029 Clinical (unspecified phase)
0.5638 Remote Similarity NPD7334 Approved
0.5638 Remote Similarity NPD7146 Approved
0.5638 Remote Similarity NPD5330 Approved
0.5638 Remote Similarity NPD6409 Approved
0.5638 Remote Similarity NPD6684 Approved
0.5638 Remote Similarity NPD7521 Approved
0.5625 Remote Similarity NPD4753 Phase 2
0.5619 Remote Similarity NPD6640 Phase 3
0.5612 Remote Similarity NPD4202 Approved
0.56 Remote Similarity NPD7839 Suspended

Structure

External Identifiers

PubChem CID   44566727
ChEMBL   CHEMBL511535
ZINC  

Physicochemical Properties

Molecular Weight:  304.24
ALogP:  2.0559
MLogP:  3.44
XLogP:  4.653
# Rotatable Bonds:  8
Polar Surface Area:  32.76
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  22

Download Data

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