Natural Product: NPC215175

Natural Product ID:  NPC215175
Common Name:   (1R,3S,4S)-4-Bromo-3-Chloro-1-((S)-4-Hydroxy-6-Methylhepta-1,5-Dien-2-Yl)-4-Methylcyclohexanol
IUPAC Name:   (1R,3S,4S)-4-bromo-3-chloro-1-[(4S)-4-hydroxy-6-methylhepta-1,5-dien-2-yl]-4-methylcyclohexan-1-ol
Synonyms:  
Molecular Formula:   C15H24BrClO2
Standard InCHIKey:  GUWOIVVOEBUYQH-CBBWQLFWSA-N
Standard InCHI:  InChI=1S/C15H24BrClO2/c1-10(2)7-12(18)8-11(3)15(19)6-5-14(4,16)13(17)9-15/h7,12-13,18-19H,3,5-6,8-9H2,1-2,4H3/t12-,13+,14+,15-/m1/s1
Canonical SMILES:  CC(=C[C@H](CC(=C)[C@@]1(O)CC[C@]([C@H](C1)Cl)(C)Br)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
NPO19629 Laurencia scoparia Species Rhodomelaceae Eukaryota PMID[16872159]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT3503 Organism Nippostrongylus brasiliensis Nippostrongylus brasiliensis EC50 = 110000 nM 9651160

  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 NPC215175 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
0.7191 Intermediate Similarity NPC97491
0.7191 Intermediate Similarity NPC273356
0.7143 Intermediate Similarity NPC240506
0.6932 Remote Similarity NPC31330
0.6854 Remote Similarity NPC113024
0.6829 Remote Similarity NPC82337
0.6778 Remote Similarity NPC311891
0.6744 Remote Similarity NPC77724
0.6742 Remote Similarity NPC476603
0.6706 Remote Similarity NPC23954
0.6634 Remote Similarity NPC269713
0.6632 Remote Similarity NPC188896
0.6628 Remote Similarity NPC220939
0.6628 Remote Similarity NPC265485
0.6625 Remote Similarity NPC68679
0.6625 Remote Similarity NPC207007
0.6625 Remote Similarity NPC321867
0.6582 Remote Similarity NPC122239
0.6556 Remote Similarity NPC83436
0.6506 Remote Similarity NPC267027
0.6506 Remote Similarity NPC326310
0.6506 Remote Similarity NPC202017
0.65 Remote Similarity NPC99487
0.65 Remote Similarity NPC66020
0.6477 Remote Similarity NPC35397
0.6477 Remote Similarity NPC474946
0.6477 Remote Similarity NPC150938
0.6463 Remote Similarity NPC300593
0.6458 Remote Similarity NPC131453
0.6456 Remote Similarity NPC226848
0.6354 Remote Similarity NPC280810
0.6353 Remote Similarity NPC96484
0.6353 Remote Similarity NPC471238
0.6341 Remote Similarity NPC473508
0.6341 Remote Similarity NPC83200
0.6322 Remote Similarity NPC471272
0.6322 Remote Similarity NPC477792
0.631 Remote Similarity NPC311736
0.6289 Remote Similarity NPC76909
0.6279 Remote Similarity NPC316572
0.6265 Remote Similarity NPC323424
0.6265 Remote Similarity NPC96793
0.625 Remote Similarity NPC155025
0.625 Remote Similarity NPC476609
0.625 Remote Similarity NPC76164
0.625 Remote Similarity NPC153699
0.6238 Remote Similarity NPC257510
0.6238 Remote Similarity NPC299714
0.6235 Remote Similarity NPC163290
0.6235 Remote Similarity NPC114651
0.6235 Remote Similarity NPC73603
0.6222 Remote Similarity NPC265588
0.6222 Remote Similarity NPC30575
0.622 Remote Similarity NPC475251
0.6207 Remote Similarity NPC92801
0.6207 Remote Similarity NPC34834
0.619 Remote Similarity NPC471200
0.619 Remote Similarity NPC308844
0.6186 Remote Similarity NPC174273
0.618 Remote Similarity NPC476366
0.618 Remote Similarity NPC201048
0.6176 Remote Similarity NPC156912
0.6173 Remote Similarity NPC475931
0.6163 Remote Similarity NPC305698
0.6163 Remote Similarity NPC224532
0.6154 Remote Similarity NPC470758
0.6154 Remote Similarity NPC470711
0.6136 Remote Similarity NPC164022
0.6136 Remote Similarity NPC242992
0.6111 Remote Similarity NPC133580
0.6111 Remote Similarity NPC476605
0.6092 Remote Similarity NPC329989
0.6092 Remote Similarity NPC473893
0.6092 Remote Similarity NPC239373
0.6092 Remote Similarity NPC471560
0.6092 Remote Similarity NPC474248
0.6087 Remote Similarity NPC83351
0.6087 Remote Similarity NPC167891
0.6087 Remote Similarity NPC215307
0.6087 Remote Similarity NPC274750
0.6076 Remote Similarity NPC148163
0.6076 Remote Similarity NPC148216
0.6076 Remote Similarity NPC130209
0.6076 Remote Similarity NPC232247
0.6076 Remote Similarity NPC251666
0.6076 Remote Similarity NPC227135
0.6064 Remote Similarity NPC264245
0.6064 Remote Similarity NPC476646
0.6047 Remote Similarity NPC259299
0.6044 Remote Similarity NPC470749
0.6042 Remote Similarity NPC282598
0.6022 Remote Similarity NPC143182
0.6022 Remote Similarity NPC28862
0.6022 Remote Similarity NPC476610
0.6022 Remote Similarity NPC477088
0.6022 Remote Similarity NPC47982
0.6022 Remote Similarity NPC109546
0.6022 Remote Similarity NPC84694
0.6022 Remote Similarity NPC81306
0.602 Remote Similarity NPC477386
0.602 Remote Similarity NPC477388
0.6 Remote Similarity NPC306727
0.6 Remote Similarity NPC49964
0.6 Remote Similarity NPC287339
0.6 Remote Similarity NPC48891
0.5979 Remote Similarity NPC469570
0.5979 Remote Similarity NPC48210
0.5978 Remote Similarity NPC474826
0.5978 Remote Similarity NPC477427
0.5978 Remote Similarity NPC91594
0.5978 Remote Similarity NPC477426
0.5978 Remote Similarity NPC477425
0.5977 Remote Similarity NPC208999
0.5977 Remote Similarity NPC276616
0.5977 Remote Similarity NPC477431
0.5962 Remote Similarity NPC92231
0.5962 Remote Similarity NPC34732
0.5957 Remote Similarity NPC236707
0.5957 Remote Similarity NPC209944
0.5957 Remote Similarity NPC96362
0.5957 Remote Similarity NPC164840
0.5957 Remote Similarity NPC234193
0.5957 Remote Similarity NPC241290
0.5955 Remote Similarity NPC471271
0.5955 Remote Similarity NPC473306
0.5955 Remote Similarity NPC167706
0.5955 Remote Similarity NPC471268
0.5952 Remote Similarity NPC174956
0.5952 Remote Similarity NPC474155
0.5952 Remote Similarity NPC473759
0.5938 Remote Similarity NPC475789
0.5938 Remote Similarity NPC474634
0.5934 Remote Similarity NPC32832
0.5918 Remote Similarity NPC255143
0.5914 Remote Similarity NPC68119
0.5914 Remote Similarity NPC172066
0.5914 Remote Similarity NPC476314
0.5914 Remote Similarity NPC474216
0.5914 Remote Similarity NPC13823
0.5909 Remote Similarity NPC74722
0.5909 Remote Similarity NPC304690
0.5909 Remote Similarity NPC217570
0.5909 Remote Similarity NPC90115
0.5904 Remote Similarity NPC477430
0.59 Remote Similarity NPC224552
0.59 Remote Similarity NPC239453
0.5895 Remote Similarity NPC209620
0.5895 Remote Similarity NPC23852
0.5895 Remote Similarity NPC47761
0.5895 Remote Similarity NPC471270
0.5889 Remote Similarity NPC130665
0.5889 Remote Similarity NPC471799
0.5882 Remote Similarity NPC290367
0.5882 Remote Similarity NPC110241
0.5876 Remote Similarity NPC238485
0.5876 Remote Similarity NPC205845
0.5876 Remote Similarity NPC83702
0.5875 Remote Similarity NPC67508
0.5875 Remote Similarity NPC84824
0.587 Remote Similarity NPC476607
0.587 Remote Similarity NPC256720
0.587 Remote Similarity NPC236228
0.587 Remote Similarity NPC170148
0.587 Remote Similarity NPC476606
0.587 Remote Similarity NPC253190
0.5862 Remote Similarity NPC136813
0.5862 Remote Similarity NPC69649
0.5862 Remote Similarity NPC171225
0.5862 Remote Similarity NPC477791
0.5862 Remote Similarity NPC68703
0.5862 Remote Similarity NPC96962
0.5854 Remote Similarity NPC181872
0.5851 Remote Similarity NPC209430
0.5851 Remote Similarity NPC30986
0.5843 Remote Similarity NPC477423
0.5843 Remote Similarity NPC4299
0.5843 Remote Similarity NPC129630
0.5843 Remote Similarity NPC189745
0.5833 Remote Similarity NPC218616
0.5833 Remote Similarity NPC225342
0.5833 Remote Similarity NPC50964
0.5833 Remote Similarity NPC189972
0.5833 Remote Similarity NPC259858
0.5833 Remote Similarity NPC101462
0.5833 Remote Similarity NPC155521
0.5833 Remote Similarity NPC87489
0.5833 Remote Similarity NPC296701
0.5824 Remote Similarity NPC144995
0.5824 Remote Similarity NPC471797
0.5824 Remote Similarity NPC227814
0.5824 Remote Similarity NPC190859
0.5824 Remote Similarity NPC477422
0.5823 Remote Similarity NPC474496
0.5816 Remote Similarity NPC274448
0.5814 Remote Similarity NPC473722
0.5806 Remote Similarity NPC149550
0.5806 Remote Similarity NPC40049
0.5806 Remote Similarity NPC155986
0.5806 Remote Similarity NPC198968
0.5806 Remote Similarity NPC85105

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC215175 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
0.6625 Remote Similarity NPD368 Approved
0.6076 Remote Similarity NPD342 Phase 1
0.5761 Remote Similarity NPD8264 Approved
0.5745 Remote Similarity NPD7322 Clinical (unspecified phase)
0.5714 Remote Similarity NPD4732 Discontinued
0.57 Remote Similarity NPD4751 Clinical (unspecified phase)
0.5699 Remote Similarity NPD3701 Clinical (unspecified phase)
0.5652 Remote Similarity NPD6926 Approved
0.5652 Remote Similarity NPD6924 Approved
0.5625 Remote Similarity NPD6931 Approved
0.5625 Remote Similarity NPD7332 Phase 2
0.5625 Remote Similarity NPD6930 Phase 2
0.5625 Remote Similarity NPD7514 Phase 3
0.5625 Remote Similarity NPD7525 Registered

Structure

External Identifiers

PubChem CID   11844113
ChEMBL   CHEMBL465388
ZINC  

Physicochemical Properties

Molecular Weight:  350.06
ALogP:  3.3787
MLogP:  2.67
XLogP:  3.057
# Rotatable Bonds:  11
Polar Surface Area:  40.46
# H-Bond Aceptor:  2
# H-Bond Donor:  2
# Rings:  1
# Heavy Atoms:  19

Download Data

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