Natural Product: NPC474155

Natural Product ID:  NPC474155
Common Name:   Suberosol C
IUPAC Name:   (1R,3R,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-3-ol
Synonyms:   suberosol C
Molecular Formula:   C15H24O
Standard InCHIKey:  OIEGRICJBAVBOD-WGAXFZFBSA-N
Standard InCHI:  InChI=1S/C15H24O/c1-10-6-5-7-11(2)14(16)8-13-12(10)9-15(13,3)4/h7,12-14,16H,1,5-6,8-9H2,2-4H3/b11-7+/t12-,13-,14-/m1/s1
Canonical SMILES:  C=C1CC/C=C(/[C@@H](C[C@@H]2[C@@H]1CC2(C)C)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
NPO11745 Subergorgia suberosa Species Subergorgiidae Eukaryota Taiwan PMID[12088433]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT139 Cell Line HT-29 Homo sapiens ED50 = 2.3 ug/ml 21199921
NPT168 Cell Line P388 Mus musculus ED50 = 2.1 ug/ml 15711537
NPT81 Cell Line A549 Homo sapiens ED50 = 5.6 ug/ml 15711537

  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 NPC474155 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 NPC473759
0.8485 Intermediate Similarity NPC474248
0.8382 Intermediate Similarity NPC329763
0.8281 Intermediate Similarity NPC107540
0.8281 Intermediate Similarity NPC309300
0.8226 Intermediate Similarity NPC122239
0.8182 Intermediate Similarity NPC171225
0.8182 Intermediate Similarity NPC114651
0.8182 Intermediate Similarity NPC477791
0.8154 Intermediate Similarity NPC19569
0.8125 Intermediate Similarity NPC473508
0.8095 Intermediate Similarity NPC99487
0.8065 Intermediate Similarity NPC155025
0.806 Intermediate Similarity NPC167527
0.806 Intermediate Similarity NPC96484
0.8056 Intermediate Similarity NPC475980
0.8033 Intermediate Similarity NPC48891
0.8 Intermediate Similarity NPC323424
0.8 Intermediate Similarity NPC300593
0.8 Intermediate Similarity NPC286752
0.8 Intermediate Similarity NPC96793
0.7969 Intermediate Similarity NPC225342
0.7941 Intermediate Similarity NPC471560
0.7937 Intermediate Similarity NPC475931
0.791 Intermediate Similarity NPC136813
0.7826 Intermediate Similarity NPC34834
0.7812 Intermediate Similarity NPC66020
0.7812 Intermediate Similarity NPC240506
0.7812 Intermediate Similarity NPC471081
0.7794 Intermediate Similarity NPC471238
0.7778 Intermediate Similarity NPC310643
0.7778 Intermediate Similarity NPC226848
0.7761 Intermediate Similarity NPC202017
0.7761 Intermediate Similarity NPC311736
0.7761 Intermediate Similarity NPC162309
0.7761 Intermediate Similarity NPC267027
0.7761 Intermediate Similarity NPC326310
0.7727 Intermediate Similarity NPC225415
0.7727 Intermediate Similarity NPC290367
0.7714 Intermediate Similarity NPC477792
0.7714 Intermediate Similarity NPC471662
0.7692 Intermediate Similarity NPC207007
0.7692 Intermediate Similarity NPC210346
0.7692 Intermediate Similarity NPC321867
0.7692 Intermediate Similarity NPC68679
0.7681 Intermediate Similarity NPC473893
0.7681 Intermediate Similarity NPC217570
0.7681 Intermediate Similarity NPC90115
0.7647 Intermediate Similarity NPC163290
0.7647 Intermediate Similarity NPC68703
0.7647 Intermediate Similarity NPC69649
0.7612 Intermediate Similarity NPC61503
0.7612 Intermediate Similarity NPC308844
0.7612 Intermediate Similarity NPC477009
0.7612 Intermediate Similarity NPC238352
0.7606 Intermediate Similarity NPC14352
0.7606 Intermediate Similarity NPC234527
0.7581 Intermediate Similarity NPC251666
0.7581 Intermediate Similarity NPC130209
0.7581 Intermediate Similarity NPC148163
0.7581 Intermediate Similarity NPC148216
0.7581 Intermediate Similarity NPC232247
0.7536 Intermediate Similarity NPC224532
0.75 Intermediate Similarity NPC475897
0.75 Intermediate Similarity NPC306727
0.75 Intermediate Similarity NPC181872
0.75 Intermediate Similarity NPC10017
0.7465 Intermediate Similarity NPC471268
0.7465 Intermediate Similarity NPC471271
0.7465 Intermediate Similarity NPC471272
0.7463 Intermediate Similarity NPC110241
0.7432 Intermediate Similarity NPC211279
0.7424 Intermediate Similarity NPC475251
0.7397 Intermediate Similarity NPC60818
0.7397 Intermediate Similarity NPC313185
0.7397 Intermediate Similarity NPC23231
0.7397 Intermediate Similarity NPC474885
0.7391 Intermediate Similarity NPC259299
0.7377 Intermediate Similarity NPC35756
0.7361 Intermediate Similarity NPC130665
0.7344 Intermediate Similarity NPC11130
0.7333 Intermediate Similarity NPC26960
0.7333 Intermediate Similarity NPC182102
0.7333 Intermediate Similarity NPC321180
0.7313 Intermediate Similarity NPC279200
0.7313 Intermediate Similarity NPC83200
0.7313 Intermediate Similarity NPC81615
0.7313 Intermediate Similarity NPC211291
0.7313 Intermediate Similarity NPC133368
0.7313 Intermediate Similarity NPC474480
0.7302 Intermediate Similarity NPC227135
0.7302 Intermediate Similarity NPC298299
0.7302 Intermediate Similarity NPC329686
0.7297 Intermediate Similarity NPC244488
0.7297 Intermediate Similarity NPC247325
0.7297 Intermediate Similarity NPC126969
0.7297 Intermediate Similarity NPC253190
0.7286 Intermediate Similarity NPC117804
0.7286 Intermediate Similarity NPC305698
0.7286 Intermediate Similarity NPC208999
0.7273 Intermediate Similarity NPC47840
0.7273 Intermediate Similarity NPC234264
0.726 Intermediate Similarity NPC309178
0.726 Intermediate Similarity NPC471659
0.726 Intermediate Similarity NPC476366
0.726 Intermediate Similarity NPC201048
0.7258 Intermediate Similarity NPC474496
0.7241 Intermediate Similarity NPC210560
0.7241 Intermediate Similarity NPC87439
0.7241 Intermediate Similarity NPC165651
0.7241 Intermediate Similarity NPC24824
0.7231 Intermediate Similarity NPC475830
0.7222 Intermediate Similarity NPC23954
0.7213 Intermediate Similarity NPC474495
0.7213 Intermediate Similarity NPC473672
0.7213 Intermediate Similarity NPC244038
0.7206 Intermediate Similarity NPC68656
0.72 Intermediate Similarity NPC470711
0.72 Intermediate Similarity NPC91594
0.72 Intermediate Similarity NPC476007
0.72 Intermediate Similarity NPC74995
0.72 Intermediate Similarity NPC470758
0.7188 Intermediate Similarity NPC24443
0.7183 Intermediate Similarity NPC329989
0.7183 Intermediate Similarity NPC239373
0.7179 Intermediate Similarity NPC472465
0.7167 Intermediate Similarity NPC62755
0.7164 Intermediate Similarity NPC274704
0.7162 Intermediate Similarity NPC171148
0.7162 Intermediate Similarity NPC69383
0.7162 Intermediate Similarity NPC133580
0.7162 Intermediate Similarity NPC313179
0.7162 Intermediate Similarity NPC32832
0.7143 Intermediate Similarity NPC82337
0.7143 Intermediate Similarity NPC161612
0.7143 Intermediate Similarity NPC73603
0.7143 Intermediate Similarity NPC33583
0.7123 Intermediate Similarity NPC275098
0.7123 Intermediate Similarity NPC186042
0.7123 Intermediate Similarity NPC474743
0.7123 Intermediate Similarity NPC265485
0.7123 Intermediate Similarity NPC220939
0.7121 Intermediate Similarity NPC309825
0.7121 Intermediate Similarity NPC5698
0.7105 Intermediate Similarity NPC475994
0.7105 Intermediate Similarity NPC83351
0.7105 Intermediate Similarity NPC476314
0.7105 Intermediate Similarity NPC167891
0.7101 Intermediate Similarity NPC287339
0.7101 Intermediate Similarity NPC187619
0.7101 Intermediate Similarity NPC471200
0.7097 Intermediate Similarity NPC181255
0.7097 Intermediate Similarity NPC179169
0.7097 Intermediate Similarity NPC35519
0.7097 Intermediate Similarity NPC157781
0.7097 Intermediate Similarity NPC68014
0.7097 Intermediate Similarity NPC306195
0.7083 Intermediate Similarity NPC145498
0.7083 Intermediate Similarity NPC286154
0.7083 Intermediate Similarity NPC189745
0.7083 Intermediate Similarity NPC4299
0.7083 Intermediate Similarity NPC254845
0.7083 Intermediate Similarity NPC92801
0.7077 Intermediate Similarity NPC27853
0.7077 Intermediate Similarity NPC7491
0.7077 Intermediate Similarity NPC65786
0.7077 Intermediate Similarity NPC13789
0.7077 Intermediate Similarity NPC101285
0.7067 Intermediate Similarity NPC265588
0.7067 Intermediate Similarity NPC470749
0.7067 Intermediate Similarity NPC471658
0.7067 Intermediate Similarity NPC469646
0.7059 Intermediate Similarity NPC124112
0.7059 Intermediate Similarity NPC174956
0.7049 Intermediate Similarity NPC329773
0.7027 Intermediate Similarity NPC144995
0.7027 Intermediate Similarity NPC469533
0.7027 Intermediate Similarity NPC227814
0.7027 Intermediate Similarity NPC469593
0.7027 Intermediate Similarity NPC469534
0.7027 Intermediate Similarity NPC190859
0.7015 Intermediate Similarity NPC323153
0.7015 Intermediate Similarity NPC135648
0.7015 Intermediate Similarity NPC252809
0.7013 Intermediate Similarity NPC28862
0.7013 Intermediate Similarity NPC47982
0.7013 Intermediate Similarity NPC109546
0.7013 Intermediate Similarity NPC84694
0.7013 Intermediate Similarity NPC30986
0.7013 Intermediate Similarity NPC143182
0.7013 Intermediate Similarity NPC152061
0.7013 Intermediate Similarity NPC308038
0.7013 Intermediate Similarity NPC81306
0.7013 Intermediate Similarity NPC209430
0.7 Intermediate Similarity NPC286669
0.7 Intermediate Similarity NPC473929
0.7 Intermediate Similarity NPC149680
0.7 Intermediate Similarity NPC476406
0.7 Intermediate Similarity NPC476039
0.7 Intermediate Similarity NPC272125

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC474155 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
0.7692 Intermediate Similarity NPD368 Approved
0.7581 Intermediate Similarity NPD342 Phase 1
0.7162 Intermediate Similarity NPD8264 Approved
0.6944 Remote Similarity NPD6923 Approved
0.6944 Remote Similarity NPD6922 Approved
0.6923 Remote Similarity NPD4219 Approved
0.6883 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6849 Remote Similarity NPD7143 Approved
0.6849 Remote Similarity NPD7144 Approved
0.68 Remote Similarity NPD6926 Approved
0.68 Remote Similarity NPD6924 Approved
0.6795 Remote Similarity NPD6929 Approved
0.6757 Remote Similarity NPD7152 Approved
0.6757 Remote Similarity NPD7150 Approved
0.6757 Remote Similarity NPD7151 Approved
0.6753 Remote Similarity NPD5776 Phase 2
0.6753 Remote Similarity NPD6925 Approved
0.6711 Remote Similarity NPD7339 Approved
0.6711 Remote Similarity NPD6942 Approved
0.6709 Remote Similarity NPD6931 Approved
0.6709 Remote Similarity NPD7332 Phase 2
0.6709 Remote Similarity NPD7514 Phase 3
0.6709 Remote Similarity NPD6930 Phase 2
0.6667 Remote Similarity NPD7145 Approved
0.6667 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6625 Remote Similarity NPD6902 Approved
0.6623 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6623 Remote Similarity NPD6933 Approved
0.6463 Remote Similarity NPD6695 Phase 3
0.6447 Remote Similarity NPD4732 Discontinued
0.642 Remote Similarity NPD6898 Phase 1
0.6393 Remote Similarity NPD4265 Approved
0.6386 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6375 Remote Similarity NPD7645 Phase 2
0.6353 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6329 Remote Similarity NPD6932 Approved
0.631 Remote Similarity NPD6893 Approved
0.6296 Remote Similarity NPD4819 Approved
0.6296 Remote Similarity NPD4822 Approved
0.6296 Remote Similarity NPD7525 Registered
0.6296 Remote Similarity NPD4820 Approved
0.6296 Remote Similarity NPD4821 Approved
0.6296 Remote Similarity NPD7509 Discontinued
0.6265 Remote Similarity NPD5332 Approved
0.6265 Remote Similarity NPD5331 Approved
0.6265 Remote Similarity NPD5362 Discontinued
0.625 Remote Similarity NPD4271 Approved
0.625 Remote Similarity NPD4268 Approved
0.622 Remote Similarity NPD4790 Discontinued
0.6173 Remote Similarity NPD6683 Phase 2
0.6163 Remote Similarity NPD7524 Approved
0.6163 Remote Similarity NPD7750 Discontinued
0.6145 Remote Similarity NPD4269 Approved
0.6145 Remote Similarity NPD3667 Approved
0.6145 Remote Similarity NPD4270 Approved
0.6104 Remote Similarity NPD4243 Approved
0.6098 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6071 Remote Similarity NPD7154 Phase 3
0.6 Remote Similarity NPD3665 Phase 1
0.6 Remote Similarity NPD3666 Approved
0.6 Remote Similarity NPD3133 Approved
0.6 Remote Similarity NPD4786 Approved
0.5955 Remote Similarity NPD5785 Approved
0.5949 Remote Similarity NPD4785 Approved
0.5949 Remote Similarity NPD4784 Approved
0.5946 Remote Similarity NPD2685 Clinical (unspecified phase)
0.593 Remote Similarity NPD6082 Clinical (unspecified phase)
0.593 Remote Similarity NPD1696 Phase 3
0.593 Remote Similarity NPD5363 Approved
0.5904 Remote Similarity NPD4252 Approved
0.5889 Remote Similarity NPD7637 Suspended
0.5889 Remote Similarity NPD7087 Discontinued
0.5875 Remote Similarity NPD5275 Approved
0.5875 Remote Similarity NPD4190 Phase 3
0.5862 Remote Similarity NPD3618 Phase 1
0.5862 Remote Similarity NPD5786 Approved
0.5862 Remote Similarity NPD5279 Phase 3
0.5833 Remote Similarity NPD4246 Clinical (unspecified phase)
0.5814 Remote Similarity NPD6400 Clinical (unspecified phase)
0.5781 Remote Similarity NPD385 Approved
0.5781 Remote Similarity NPD384 Approved
0.5778 Remote Similarity NPD7136 Phase 2
0.5753 Remote Similarity NPD4193 Approved
0.5753 Remote Similarity NPD4191 Approved
0.5753 Remote Similarity NPD4194 Approved
0.5753 Remote Similarity NPD4192 Approved
0.5714 Remote Similarity NPD4748 Discontinued
0.5714 Remote Similarity NPD5368 Approved
0.5684 Remote Similarity NPD4225 Approved
0.5682 Remote Similarity NPD4249 Approved
0.5682 Remote Similarity NPD4623 Approved
0.5682 Remote Similarity NPD4519 Discontinued
0.5667 Remote Similarity NPD5328 Approved
0.5658 Remote Similarity NPD7331 Phase 2
0.5652 Remote Similarity NPD5779 Approved
0.5652 Remote Similarity NPD5778 Approved
0.5647 Remote Similarity NPD5369 Approved
0.5647 Remote Similarity NPD857 Phase 3
0.5641 Remote Similarity NPD15 Approved
0.5641 Remote Similarity NPD1082 Approved
0.5641 Remote Similarity NPD791 Approved
0.5632 Remote Similarity NPD5766 Clinical (unspecified phase)
0.5625 Remote Similarity NPD7640 Approved
0.5625 Remote Similarity NPD7639 Approved
0.5618 Remote Similarity NPD4250 Approved
0.5618 Remote Similarity NPD4251 Approved

Structure

External Identifiers

PubChem CID   9991033
ChEMBL   CHEMBL463056
ZINC  

Physicochemical Properties

Molecular Weight:  220.18
ALogP:  2.6558
MLogP:  3
XLogP:  4.014
# Rotatable Bonds:  4
Polar Surface Area:  20.23
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  16

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Biological Activities  
Similar NPs/Drugs