Natural Product: NPC145963

Natural Product ID:  NPC145963
Common Name:   Nanolobatin B
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H30O3
Standard InCHIKey:  ZADUJBOYWSBTGW-JQVHTRMZSA-N
Standard InCHI:  InChI=1S/C20H30O3/c1-13-6-7-17-20(5,23-17)11-8-15-14(13)12-19(15,4)16(21)9-10-18(2,3)22/h9-10,14-15,17,22H,1,6-8,11-12H2,2-5H3/b10-9+/t14-,15-,17-,19-,20-/m0/s1
Canonical SMILES:  C=C1CC[C@@H]2O[C@]2(CC[C@H]2[C@H]1C[C@]2(C)C(=O)/C=C/C(O)(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
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
NPT2 Others Unspecified ED50 = 8.3 ug/ml 10691710
NPT91 Cell Line KB Homo sapiens ED50 = 7.6 ug/ml 1710653

  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 NPC145963 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
0.8228 Intermediate Similarity NPC469691
0.8228 Intermediate Similarity NPC167049
0.8125 Intermediate Similarity NPC475771
0.8125 Intermediate Similarity NPC469669
0.8125 Intermediate Similarity NPC469678
0.8101 Intermediate Similarity NPC329763
0.8068 Intermediate Similarity NPC115179
0.8068 Intermediate Similarity NPC106040
0.8025 Intermediate Similarity NPC271070
0.8023 Intermediate Similarity NPC96621
0.8 Intermediate Similarity NPC227814
0.8 Intermediate Similarity NPC144995
0.7952 Intermediate Similarity NPC136033
0.7927 Intermediate Similarity NPC211279
0.7927 Intermediate Similarity NPC476007
0.7875 Intermediate Similarity NPC107783
0.7875 Intermediate Similarity NPC92909
0.7857 Intermediate Similarity NPC304795
0.7831 Intermediate Similarity NPC475994
0.7791 Intermediate Similarity NPC53867
0.7765 Intermediate Similarity NPC325031
0.7722 Intermediate Similarity NPC477448
0.7722 Intermediate Similarity NPC477449
0.7692 Intermediate Similarity NPC219874
0.7683 Intermediate Similarity NPC474419
0.7674 Intermediate Similarity NPC85772
0.7667 Intermediate Similarity NPC212598
0.7654 Intermediate Similarity NPC470237
0.7619 Intermediate Similarity NPC321180
0.7619 Intermediate Similarity NPC474056
0.7619 Intermediate Similarity NPC207186
0.7614 Intermediate Similarity NPC261380
0.759 Intermediate Similarity NPC469646
0.759 Intermediate Similarity NPC226242
0.7529 Intermediate Similarity NPC308038
0.7529 Intermediate Similarity NPC476177
0.7528 Intermediate Similarity NPC474045
0.7528 Intermediate Similarity NPC234038
0.7528 Intermediate Similarity NPC194417
0.7528 Intermediate Similarity NPC261253
0.7528 Intermediate Similarity NPC472974
0.75 Intermediate Similarity NPC261398
0.75 Intermediate Similarity NPC476412
0.75 Intermediate Similarity NPC14575
0.75 Intermediate Similarity NPC228574
0.75 Intermediate Similarity NPC107668
0.75 Intermediate Similarity NPC196487
0.75 Intermediate Similarity NPC294304
0.75 Intermediate Similarity NPC476705
0.7473 Intermediate Similarity NPC170775
0.7473 Intermediate Similarity NPC83423
0.7471 Intermediate Similarity NPC93590
0.7471 Intermediate Similarity NPC279186
0.747 Intermediate Similarity NPC475861
0.747 Intermediate Similarity NPC474885
0.747 Intermediate Similarity NPC474011
0.7439 Intermediate Similarity NPC186042
0.7439 Intermediate Similarity NPC275098
0.7416 Intermediate Similarity NPC125290
0.7416 Intermediate Similarity NPC476426
0.7416 Intermediate Similarity NPC474369
0.7412 Intermediate Similarity NPC62336
0.7412 Intermediate Similarity NPC275494
0.7412 Intermediate Similarity NPC192006
0.7412 Intermediate Similarity NPC471409
0.7391 Intermediate Similarity NPC145666
0.7386 Intermediate Similarity NPC108045
0.7386 Intermediate Similarity NPC475622
0.7381 Intermediate Similarity NPC263582
0.7375 Intermediate Similarity NPC469688
0.7356 Intermediate Similarity NPC478262
0.734 Intermediate Similarity NPC167219
0.734 Intermediate Similarity NPC65829
0.7333 Intermediate Similarity NPC122502
0.7333 Intermediate Similarity NPC116575
0.7326 Intermediate Similarity NPC469617
0.7326 Intermediate Similarity NPC19900
0.732 Intermediate Similarity NPC475053
0.7317 Intermediate Similarity NPC40327
0.7317 Intermediate Similarity NPC474884
0.7312 Intermediate Similarity NPC475441
0.7312 Intermediate Similarity NPC303697
0.7303 Intermediate Similarity NPC475796
0.7303 Intermediate Similarity NPC472326
0.7294 Intermediate Similarity NPC74995
0.7294 Intermediate Similarity NPC86917
0.7284 Intermediate Similarity NPC250928
0.7284 Intermediate Similarity NPC10758
0.7283 Intermediate Similarity NPC472973
0.7273 Intermediate Similarity NPC474291
0.7273 Intermediate Similarity NPC475936
0.7273 Intermediate Similarity NPC38796
0.7273 Intermediate Similarity NPC158411
0.7263 Intermediate Similarity NPC472469
0.7263 Intermediate Similarity NPC272050
0.7262 Intermediate Similarity NPC114236
0.7253 Intermediate Similarity NPC312561
0.7253 Intermediate Similarity NPC474765
0.7253 Intermediate Similarity NPC478145
0.7253 Intermediate Similarity NPC287079
0.7253 Intermediate Similarity NPC478144
0.7253 Intermediate Similarity NPC72513
0.725 Intermediate Similarity NPC278895
0.7241 Intermediate Similarity NPC172013
0.7241 Intermediate Similarity NPC45495
0.7234 Intermediate Similarity NPC476049
0.7234 Intermediate Similarity NPC37816
0.7234 Intermediate Similarity NPC476416
0.7222 Intermediate Similarity NPC474853
0.7222 Intermediate Similarity NPC474547
0.7222 Intermediate Similarity NPC476678
0.7222 Intermediate Similarity NPC179006
0.7216 Intermediate Similarity NPC316598
0.7209 Intermediate Similarity NPC267231
0.7209 Intermediate Similarity NPC231739
0.7209 Intermediate Similarity NPC297996
0.7209 Intermediate Similarity NPC474341
0.7209 Intermediate Similarity NPC128276
0.7204 Intermediate Similarity NPC473448
0.7204 Intermediate Similarity NPC469368
0.7195 Intermediate Similarity NPC286154
0.7191 Intermediate Similarity NPC193198
0.7191 Intermediate Similarity NPC475842
0.7191 Intermediate Similarity NPC250315
0.7176 Intermediate Similarity NPC474527
0.7176 Intermediate Similarity NPC215481
0.7176 Intermediate Similarity NPC471726
0.7176 Intermediate Similarity NPC12740
0.7176 Intermediate Similarity NPC110461
0.7176 Intermediate Similarity NPC470525
0.7174 Intermediate Similarity NPC476706
0.7174 Intermediate Similarity NPC476707
0.7174 Intermediate Similarity NPC249889
0.7174 Intermediate Similarity NPC193843
0.716 Intermediate Similarity NPC469679
0.7159 Intermediate Similarity NPC141810
0.7159 Intermediate Similarity NPC472471
0.7159 Intermediate Similarity NPC42470
0.7158 Intermediate Similarity NPC475572
0.7158 Intermediate Similarity NPC38830
0.7158 Intermediate Similarity NPC299100
0.7143 Intermediate Similarity NPC472986
0.7143 Intermediate Similarity NPC40206
0.7143 Intermediate Similarity NPC202394
0.7143 Intermediate Similarity NPC206875
0.7143 Intermediate Similarity NPC472985
0.7143 Intermediate Similarity NPC469676
0.7128 Intermediate Similarity NPC472978
0.7128 Intermediate Similarity NPC475806
0.7128 Intermediate Similarity NPC472814
0.7128 Intermediate Similarity NPC472975
0.7128 Intermediate Similarity NPC261607
0.7128 Intermediate Similarity NPC177037
0.7128 Intermediate Similarity NPC300312
0.7128 Intermediate Similarity NPC111114
0.7128 Intermediate Similarity NPC252433
0.7126 Intermediate Similarity NPC281138
0.7126 Intermediate Similarity NPC617
0.7126 Intermediate Similarity NPC469608
0.7126 Intermediate Similarity NPC7232
0.7126 Intermediate Similarity NPC152061
0.7126 Intermediate Similarity NPC469690
0.7125 Intermediate Similarity NPC197089
0.7113 Intermediate Similarity NPC471916
0.7111 Intermediate Similarity NPC230527
0.7111 Intermediate Similarity NPC7927
0.7111 Intermediate Similarity NPC82297
0.7111 Intermediate Similarity NPC72464
0.7111 Intermediate Similarity NPC306951
0.71 Intermediate Similarity NPC131366
0.71 Intermediate Similarity NPC473624
0.7097 Intermediate Similarity NPC5509
0.7097 Intermediate Similarity NPC36668
0.7097 Intermediate Similarity NPC118011
0.7097 Intermediate Similarity NPC123912
0.7097 Intermediate Similarity NPC310236
0.7097 Intermediate Similarity NPC472983
0.7093 Intermediate Similarity NPC266193
0.7093 Intermediate Similarity NPC203403
0.7093 Intermediate Similarity NPC57744
0.7093 Intermediate Similarity NPC97377
0.7093 Intermediate Similarity NPC197659
0.7093 Intermediate Similarity NPC257666
0.7093 Intermediate Similarity NPC276769
0.7093 Intermediate Similarity NPC471061
0.7083 Intermediate Similarity NPC180950
0.7079 Intermediate Similarity NPC256750
0.7079 Intermediate Similarity NPC20262
0.7079 Intermediate Similarity NPC123880
0.7079 Intermediate Similarity NPC471159
0.7073 Intermediate Similarity NPC469914
0.7073 Intermediate Similarity NPC304690
0.7073 Intermediate Similarity NPC469677
0.7073 Intermediate Similarity NPC74722
0.7071 Intermediate Similarity NPC115862
0.7065 Intermediate Similarity NPC475678
0.7065 Intermediate Similarity NPC160138
0.7065 Intermediate Similarity NPC471738
0.7059 Intermediate Similarity NPC472327
0.7059 Intermediate Similarity NPC251435

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC145963 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
0.7033 Intermediate Similarity NPD1694 Approved
0.7021 Intermediate Similarity NPD5785 Approved
0.7011 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.6957 Remote Similarity NPD4519 Discontinued
0.6957 Remote Similarity NPD4623 Approved
0.6889 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6889 Remote Similarity NPD5209 Approved
0.6848 Remote Similarity NPD5363 Approved
0.6804 Remote Similarity NPD5282 Discontinued
0.679 Remote Similarity NPD2685 Clinical (unspecified phase)
0.6739 Remote Similarity NPD3665 Phase 1
0.6739 Remote Similarity NPD3666 Approved
0.6739 Remote Similarity NPD3133 Approved
0.6735 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6707 Remote Similarity NPD7331 Phase 2
0.6667 Remote Similarity NPD4695 Discontinued
0.663 Remote Similarity NPD5362 Discontinued
0.663 Remote Similarity NPD7154 Phase 3
0.6598 Remote Similarity NPD6079 Approved
0.6596 Remote Similarity NPD7334 Approved
0.6596 Remote Similarity NPD3618 Phase 1
0.6596 Remote Similarity NPD6409 Approved
0.6596 Remote Similarity NPD5690 Phase 2
0.6596 Remote Similarity NPD5330 Approved
0.6596 Remote Similarity NPD7146 Approved
0.6596 Remote Similarity NPD6684 Approved
0.6596 Remote Similarity NPD5279 Phase 3
0.6596 Remote Similarity NPD7521 Approved
0.6585 Remote Similarity NPD7341 Phase 2
0.6542 Remote Similarity NPD6371 Approved
0.6526 Remote Similarity NPD3573 Approved
0.6522 Remote Similarity NPD4223 Phase 3
0.6522 Remote Similarity NPD4270 Approved
0.6522 Remote Similarity NPD4269 Approved
0.6522 Remote Similarity NPD4221 Approved
0.6522 Remote Similarity NPD3667 Approved
0.6505 Remote Similarity NPD5211 Phase 2
0.6495 Remote Similarity NPD46 Approved
0.6495 Remote Similarity NPD6698 Approved
0.6489 Remote Similarity NPD1696 Phase 3
0.6486 Remote Similarity NPD7115 Discovery
0.6477 Remote Similarity NPD8039 Approved
0.6465 Remote Similarity NPD7748 Approved
0.6458 Remote Similarity NPD6903 Approved
0.6458 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6421 Remote Similarity NPD5786 Approved
0.6413 Remote Similarity NPD5369 Approved
0.64 Remote Similarity NPD4629 Approved
0.64 Remote Similarity NPD5695 Phase 3
0.64 Remote Similarity NPD5210 Approved
0.6392 Remote Similarity NPD1695 Approved
0.6392 Remote Similarity NPD5328 Approved
0.6392 Remote Similarity NPD4753 Phase 2
0.6383 Remote Similarity NPD4786 Approved
0.6383 Remote Similarity NPD4197 Approved
0.6381 Remote Similarity NPD5141 Approved
0.6364 Remote Similarity NPD5778 Approved
0.6364 Remote Similarity NPD5779 Approved
0.6364 Remote Similarity NPD4202 Approved
0.6344 Remote Similarity NPD6435 Approved
0.6337 Remote Similarity NPD5221 Approved
0.6337 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6337 Remote Similarity NPD5222 Approved
0.6327 Remote Similarity NPD7838 Discovery
0.6316 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6316 Remote Similarity NPD5329 Approved
0.6311 Remote Similarity NPD5286 Approved
0.6311 Remote Similarity NPD4696 Approved
0.6311 Remote Similarity NPD5285 Approved
0.6304 Remote Similarity NPD4252 Approved
0.6304 Remote Similarity NPD4820 Approved
0.6304 Remote Similarity NPD4822 Approved
0.6304 Remote Similarity NPD4819 Approved
0.6304 Remote Similarity NPD4821 Approved
0.6304 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6289 Remote Similarity NPD6672 Approved
0.6289 Remote Similarity NPD4518 Approved
0.6289 Remote Similarity NPD5737 Approved
0.6275 Remote Similarity NPD6084 Phase 2
0.6275 Remote Similarity NPD6083 Phase 2
0.6275 Remote Similarity NPD7902 Approved
0.6275 Remote Similarity NPD5173 Approved
0.6263 Remote Similarity NPD6411 Approved
0.6263 Remote Similarity NPD7515 Phase 2
0.6262 Remote Similarity NPD5697 Approved
0.625 Remote Similarity NPD4138 Approved
0.625 Remote Similarity NPD5280 Approved
0.625 Remote Similarity NPD5205 Approved
0.625 Remote Similarity NPD4690 Approved
0.625 Remote Similarity NPD4689 Approved
0.625 Remote Similarity NPD3574 Clinical (unspecified phase)
0.625 Remote Similarity NPD4688 Approved
0.625 Remote Similarity NPD4693 Phase 3
0.625 Remote Similarity NPD4694 Approved
0.625 Remote Similarity NPD5223 Approved
0.6214 Remote Similarity NPD4225 Approved
0.6214 Remote Similarity NPD5696 Approved
0.6211 Remote Similarity NPD3668 Phase 3
0.6204 Remote Similarity NPD6899 Approved
0.6204 Remote Similarity NPD6011 Approved
0.6204 Remote Similarity NPD6881 Approved
0.62 Remote Similarity NPD6399 Phase 3
0.6196 Remote Similarity NPD4195 Approved
0.619 Remote Similarity NPD5225 Approved
0.619 Remote Similarity NPD5224 Approved
0.619 Remote Similarity NPD4633 Approved
0.619 Remote Similarity NPD5226 Approved
0.6162 Remote Similarity NPD5207 Approved
0.6154 Remote Similarity NPD7640 Approved
0.6154 Remote Similarity NPD6648 Approved
0.6154 Remote Similarity NPD4756 Discovery
0.6154 Remote Similarity NPD7639 Approved
0.6147 Remote Similarity NPD6012 Approved
0.6147 Remote Similarity NPD6013 Approved
0.6147 Remote Similarity NPD6014 Approved
0.6139 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6139 Remote Similarity NPD7900 Approved
0.6132 Remote Similarity NPD5174 Approved
0.6132 Remote Similarity NPD5175 Approved
0.6129 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6129 Remote Similarity NPD5368 Approved
0.6122 Remote Similarity NPD5208 Approved
0.6118 Remote Similarity NPD6108 Clinical (unspecified phase)
0.6117 Remote Similarity NPD4755 Approved
0.6105 Remote Similarity NPD5332 Approved
0.6105 Remote Similarity NPD4788 Approved
0.6105 Remote Similarity NPD5331 Approved
0.61 Remote Similarity NPD5281 Approved
0.61 Remote Similarity NPD5693 Phase 1
0.61 Remote Similarity NPD7983 Approved
0.61 Remote Similarity NPD5284 Approved
0.61 Remote Similarity NPD5694 Approved
0.6095 Remote Similarity NPD5344 Discontinued
0.6091 Remote Similarity NPD7102 Approved
0.6091 Remote Similarity NPD7290 Approved
0.6091 Remote Similarity NPD6883 Approved
0.6087 Remote Similarity NPD4271 Approved
0.6087 Remote Similarity NPD3617 Approved
0.6087 Remote Similarity NPD4268 Approved
0.6078 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6064 Remote Similarity NPD4790 Discontinued
0.6061 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6061 Remote Similarity NPD6101 Approved
0.6061 Remote Similarity NPD6673 Approved
0.6061 Remote Similarity NPD6080 Approved
0.6061 Remote Similarity NPD6904 Approved
0.6058 Remote Similarity NPD7638 Approved
0.6055 Remote Similarity NPD6686 Approved
0.6049 Remote Similarity NPD287 Approved
0.6036 Remote Similarity NPD6617 Approved
0.6036 Remote Similarity NPD8130 Phase 1
0.6036 Remote Similarity NPD6650 Approved
0.6036 Remote Similarity NPD6847 Approved
0.6036 Remote Similarity NPD6649 Approved
0.6036 Remote Similarity NPD6869 Approved
0.6024 Remote Similarity NPD368 Approved
0.6023 Remote Similarity NPD4691 Approved
0.6019 Remote Similarity NPD6008 Approved
0.6019 Remote Similarity NPD6675 Approved
0.6019 Remote Similarity NPD5739 Approved
0.6019 Remote Similarity NPD4697 Phase 3
0.6019 Remote Similarity NPD7128 Approved
0.6019 Remote Similarity NPD6402 Approved
0.6 Remote Similarity NPD5692 Phase 3
0.6 Remote Similarity NPD4096 Approved
0.6 Remote Similarity NPD4058 Approved
0.6 Remote Similarity NPD4800 Clinical (unspecified phase)
0.6 Remote Similarity NPD4700 Approved
0.5982 Remote Similarity NPD8297 Approved
0.5982 Remote Similarity NPD6882 Approved
0.598 Remote Similarity NPD6001 Approved
0.5963 Remote Similarity NPD7899 Clinical (unspecified phase)
0.5963 Remote Similarity NPD5701 Approved
0.5952 Remote Similarity NPD2664 Clinical (unspecified phase)
0.5941 Remote Similarity NPD6050 Approved
0.5941 Remote Similarity NPD7637 Suspended
0.5938 Remote Similarity NPD6695 Phase 3
0.5938 Remote Similarity NPD6110 Phase 1
0.5934 Remote Similarity NPD8264 Approved
0.5918 Remote Similarity NPD6098 Approved
0.5918 Remote Similarity NPD4249 Approved
0.5914 Remote Similarity NPD7322 Clinical (unspecified phase)
0.5909 Remote Similarity NPD4137 Phase 3
0.5909 Remote Similarity NPD4729 Approved
0.5909 Remote Similarity NPD4730 Approved
0.5909 Remote Similarity NPD7320 Approved
0.5905 Remote Similarity NPD8029 Clinical (unspecified phase)
0.5895 Remote Similarity NPD857 Phase 3
0.5882 Remote Similarity NPD5133 Approved
0.5876 Remote Similarity NPD7338 Clinical (unspecified phase)
0.5865 Remote Similarity NPD7839 Suspended
0.5859 Remote Similarity NPD4251 Approved
0.5859 Remote Similarity NPD4250 Approved
0.5856 Remote Similarity NPD4061 Clinical (unspecified phase)
0.5856 Remote Similarity NPD6372 Approved
0.5856 Remote Similarity NPD6373 Approved
0.5843 Remote Similarity NPD4747 Approved
0.5833 Remote Similarity NPD4194 Approved
0.5833 Remote Similarity NPD4192 Approved
0.5833 Remote Similarity NPD6647 Phase 2

Structure

External Identifiers

PubChem CID   10064493
ChEMBL   CHEMBL463893
ZINC  

Physicochemical Properties

Molecular Weight:  318.22
ALogP:  1.5035
MLogP:  3.33
XLogP:  2.579
# Rotatable Bonds:  8
Polar Surface Area:  49.83
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  23

Download Data

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