Natural Product: NPC215307

Natural Product ID:  NPC215307
Common Name:   (2S,3R,6S,Z)-2-Bromo-9-(Bromomethylene)-1,1-Dimethyl-5-Methylenespiro[5.5]Undec-7-En-3-Ol
IUPAC Name:   (3R,4S,6S,9Z)-4-bromo-9-(bromomethylidene)-5,5-dimethyl-1-methylidenespiro[5.5]undec-10-en-3-ol
Synonyms:  
Molecular Formula:   C15H20Br2O
Standard InCHIKey:  BERVNSMGLDGYPR-CGJGQCBQSA-N
Standard InCHI:  InChI=1S/C15H20Br2O/c1-10-8-12(18)13(17)14(2,3)15(10)6-4-11(9-16)5-7-15/h4,6,9,12-13,18H,1,5,7-8H2,2-3H3/b11-9+/t12-,13-,15-/m1/s1
Canonical SMILES:  Br/C=C1/CC[C@]2(C=C1)C(=C)C[C@H]([C@H](C2(C)C)Br)O
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[11754610]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT3503 Organism Nippostrongylus brasiliensis Nippostrongylus brasiliensis Activity < 100 nM 22153873

  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 NPC215307 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 NPC274750
0.9315 High Similarity NPC474946
0.9315 High Similarity NPC35397
0.9091 High Similarity NPC311891
0.8961 High Similarity NPC113024
0.859 High Similarity NPC31330
0.8442 Intermediate Similarity NPC61080
0.8214 Intermediate Similarity NPC109900
0.7901 Intermediate Similarity NPC83436
0.7805 Intermediate Similarity NPC15714
0.7701 Intermediate Similarity NPC188896
0.7614 Intermediate Similarity NPC239453
0.7614 Intermediate Similarity NPC224552
0.7595 Intermediate Similarity NPC68443
0.7595 Intermediate Similarity NPC476609
0.7586 Intermediate Similarity NPC174273
0.7564 Intermediate Similarity NPC145498
0.7564 Intermediate Similarity NPC92801
0.7532 Intermediate Similarity NPC96484
0.7532 Intermediate Similarity NPC208999
0.7529 Intermediate Similarity NPC97491
0.7529 Intermediate Similarity NPC273356
0.75 Intermediate Similarity NPC131453
0.75 Intermediate Similarity NPC477138
0.75 Intermediate Similarity NPC243342
0.747 Intermediate Similarity NPC129501
0.7468 Intermediate Similarity NPC242001
0.7407 Intermediate Similarity NPC291503
0.7407 Intermediate Similarity NPC476605
0.7403 Intermediate Similarity NPC45782
0.7391 Intermediate Similarity NPC257510
0.7391 Intermediate Similarity NPC299714
0.7375 Intermediate Similarity NPC471799
0.7375 Intermediate Similarity NPC182717
0.7349 Intermediate Similarity NPC307965
0.7349 Intermediate Similarity NPC76931
0.7349 Intermediate Similarity NPC18603
0.7317 Intermediate Similarity NPC265588
0.7317 Intermediate Similarity NPC106432
0.7284 Intermediate Similarity NPC91858
0.7284 Intermediate Similarity NPC471797
0.7273 Intermediate Similarity NPC149680
0.725 Intermediate Similarity NPC110799
0.725 Intermediate Similarity NPC164022
0.7241 Intermediate Similarity NPC282598
0.7237 Intermediate Similarity NPC225415
0.7237 Intermediate Similarity NPC290367
0.7229 Intermediate Similarity NPC471798
0.7215 Intermediate Similarity NPC476604
0.7195 Intermediate Similarity NPC69383
0.7195 Intermediate Similarity NPC66566
0.7195 Intermediate Similarity NPC171148
0.7195 Intermediate Similarity NPC313179
0.7195 Intermediate Similarity NPC477923
0.7143 Intermediate Similarity NPC205455
0.7143 Intermediate Similarity NPC318136
0.7143 Intermediate Similarity NPC186191
0.7128 Intermediate Similarity NPC156912
0.7126 Intermediate Similarity NPC237795
0.7126 Intermediate Similarity NPC82538
0.7125 Intermediate Similarity NPC49422
0.7125 Intermediate Similarity NPC9161
0.7108 Intermediate Similarity NPC250621
0.7108 Intermediate Similarity NPC129165
0.7108 Intermediate Similarity NPC134330
0.7108 Intermediate Similarity NPC113733
0.7108 Intermediate Similarity NPC253190
0.7108 Intermediate Similarity NPC274079
0.7108 Intermediate Similarity NPC476606
0.7108 Intermediate Similarity NPC470362
0.7108 Intermediate Similarity NPC477925
0.7108 Intermediate Similarity NPC476607
0.7089 Intermediate Similarity NPC216460
0.7089 Intermediate Similarity NPC32055
0.7089 Intermediate Similarity NPC471238
0.7073 Intermediate Similarity NPC329090
0.7073 Intermediate Similarity NPC100334
0.7073 Intermediate Similarity NPC27395
0.7059 Intermediate Similarity NPC476603
0.7059 Intermediate Similarity NPC476610
0.7053 Intermediate Similarity NPC34732
0.7053 Intermediate Similarity NPC92231
0.7051 Intermediate Similarity NPC202017
0.7045 Intermediate Similarity NPC238485
0.7037 Intermediate Similarity NPC242992
0.7037 Intermediate Similarity NPC477792
0.7037 Intermediate Similarity NPC475077
0.7037 Intermediate Similarity NPC167706
0.7024 Intermediate Similarity NPC477924
0.7024 Intermediate Similarity NPC91594
0.7013 Intermediate Similarity NPC144650
0.7011 Intermediate Similarity NPC201852
0.7 Intermediate Similarity NPC476431
0.7 Intermediate Similarity NPC474248
0.7 Intermediate Similarity NPC167272
0.7 Intermediate Similarity NPC269877
0.6988 Remote Similarity NPC471723
0.6988 Remote Similarity NPC288035
0.6988 Remote Similarity NPC141071
0.6988 Remote Similarity NPC162742
0.6988 Remote Similarity NPC136188
0.6988 Remote Similarity NPC28657
0.6988 Remote Similarity NPC22105
0.6988 Remote Similarity NPC230301
0.6988 Remote Similarity NPC328104
0.6988 Remote Similarity NPC471468
0.6988 Remote Similarity NPC285893
0.6988 Remote Similarity NPC257347
0.6988 Remote Similarity NPC134847
0.6988 Remote Similarity NPC319090
0.6988 Remote Similarity NPC304309
0.6977 Remote Similarity NPC96362
0.6977 Remote Similarity NPC287749
0.6966 Remote Similarity NPC313115
0.6962 Remote Similarity NPC96962
0.6962 Remote Similarity NPC476650
0.6962 Remote Similarity NPC197805
0.6951 Remote Similarity NPC220939
0.6951 Remote Similarity NPC265485
0.6941 Remote Similarity NPC72507
0.6941 Remote Similarity NPC275910
0.6941 Remote Similarity NPC470396
0.6941 Remote Similarity NPC83351
0.6941 Remote Similarity NPC167891
0.6941 Remote Similarity NPC99168
0.6941 Remote Similarity NPC474989
0.6941 Remote Similarity NPC22955
0.6941 Remote Similarity NPC476314
0.6932 Remote Similarity NPC470384
0.6914 Remote Similarity NPC34834
0.6905 Remote Similarity NPC107059
0.6905 Remote Similarity NPC122418
0.6905 Remote Similarity NPC290598
0.6905 Remote Similarity NPC321381
0.6905 Remote Similarity NPC189883
0.6905 Remote Similarity NPC46160
0.6905 Remote Similarity NPC315261
0.6905 Remote Similarity NPC265328
0.6905 Remote Similarity NPC30590
0.6905 Remote Similarity NPC96319
0.6905 Remote Similarity NPC27765
0.6905 Remote Similarity NPC120098
0.6905 Remote Similarity NPC240604
0.6905 Remote Similarity NPC321016
0.6905 Remote Similarity NPC106364
0.6905 Remote Similarity NPC300324
0.6905 Remote Similarity NPC202642
0.6897 Remote Similarity NPC142163
0.6897 Remote Similarity NPC476646
0.6883 Remote Similarity NPC83200
0.6867 Remote Similarity NPC306727
0.6867 Remote Similarity NPC469534
0.6867 Remote Similarity NPC469533
0.6867 Remote Similarity NPC469593
0.686 Remote Similarity NPC291379
0.686 Remote Similarity NPC53744
0.686 Remote Similarity NPC100906
0.6854 Remote Similarity NPC231310
0.6854 Remote Similarity NPC474493
0.6835 Remote Similarity NPC476039
0.6835 Remote Similarity NPC286669
0.6835 Remote Similarity NPC473929
0.6835 Remote Similarity NPC222366
0.6829 Remote Similarity NPC471271
0.6829 Remote Similarity NPC471272
0.6829 Remote Similarity NPC471268
0.6829 Remote Similarity NPC23954
0.6824 Remote Similarity NPC198968
0.6824 Remote Similarity NPC34177
0.6824 Remote Similarity NPC318495
0.6824 Remote Similarity NPC214570
0.6824 Remote Similarity NPC90979
0.6824 Remote Similarity NPC157996
0.6824 Remote Similarity NPC40394
0.6824 Remote Similarity NPC283619
0.6824 Remote Similarity NPC101475
0.6824 Remote Similarity NPC34019
0.6824 Remote Similarity NPC155986
0.6824 Remote Similarity NPC472805
0.6818 Remote Similarity NPC202389
0.6795 Remote Similarity NPC323424
0.6795 Remote Similarity NPC68656
0.6795 Remote Similarity NPC96793
0.679 Remote Similarity NPC9942
0.679 Remote Similarity NPC471560
0.6786 Remote Similarity NPC138374
0.6786 Remote Similarity NPC34700
0.6786 Remote Similarity NPC322353
0.6786 Remote Similarity NPC118508
0.6786 Remote Similarity NPC121744
0.6782 Remote Similarity NPC164840
0.6782 Remote Similarity NPC209944
0.6782 Remote Similarity NPC234193
0.6782 Remote Similarity NPC241290
0.6778 Remote Similarity NPC109528
0.6753 Remote Similarity NPC282694
0.6753 Remote Similarity NPC225342
0.6753 Remote Similarity NPC475251
0.6753 Remote Similarity NPC194208
0.6753 Remote Similarity NPC79576

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC215307 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
0.725 Intermediate Similarity NPD7151 Approved
0.725 Intermediate Similarity NPD7150 Approved
0.725 Intermediate Similarity NPD7152 Approved
0.7195 Intermediate Similarity NPD8264 Approved
0.7125 Intermediate Similarity NPD7143 Approved
0.7125 Intermediate Similarity NPD7144 Approved
0.7073 Intermediate Similarity NPD6924 Approved
0.7073 Intermediate Similarity NPD6926 Approved
0.7 Intermediate Similarity NPD6923 Approved
0.7 Intermediate Similarity NPD6922 Approved
0.6988 Remote Similarity NPD6942 Approved
0.6988 Remote Similarity NPD7339 Approved
0.6905 Remote Similarity NPD6933 Approved
0.6905 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6782 Remote Similarity NPD7509 Discontinued
0.6667 Remote Similarity NPD6929 Approved
0.6667 Remote Similarity NPD7645 Phase 2
0.6628 Remote Similarity NPD6932 Approved
0.6591 Remote Similarity NPD6930 Phase 2
0.6591 Remote Similarity NPD6931 Approved
0.6552 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6552 Remote Similarity NPD7145 Approved
0.6444 Remote Similarity NPD3667 Approved
0.6437 Remote Similarity NPD6925 Approved
0.6437 Remote Similarity NPD5776 Phase 2
0.6404 Remote Similarity NPD7525 Registered
0.6404 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6404 Remote Similarity NPD7514 Phase 3
0.6404 Remote Similarity NPD7332 Phase 2
0.6374 Remote Similarity NPD6695 Phase 3
0.6333 Remote Similarity NPD6902 Approved
0.6316 Remote Similarity NPD4219 Approved
0.6304 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6304 Remote Similarity NPD4786 Approved
0.6292 Remote Similarity NPD6683 Phase 2
0.6279 Remote Similarity NPD4784 Approved
0.6279 Remote Similarity NPD4785 Approved
0.6237 Remote Similarity NPD6893 Approved
0.6222 Remote Similarity NPD4748 Discontinued
0.6186 Remote Similarity NPD6411 Approved
0.617 Remote Similarity NPD5279 Phase 3
0.617 Remote Similarity NPD3618 Phase 1
0.6154 Remote Similarity NPD6898 Phase 1
0.6105 Remote Similarity NPD7524 Approved
0.6105 Remote Similarity NPD7750 Discontinued
0.6105 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6047 Remote Similarity NPD4243 Approved
0.602 Remote Similarity NPD6079 Approved
0.5979 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5979 Remote Similarity NPD6101 Approved
0.5979 Remote Similarity NPD5328 Approved
0.5977 Remote Similarity NPD4732 Discontinued
0.5974 Remote Similarity NPD342 Phase 1
0.5957 Remote Similarity NPD3666 Approved
0.5957 Remote Similarity NPD3665 Phase 1
0.5957 Remote Similarity NPD3133 Approved
0.5926 Remote Similarity NPD368 Approved
0.5895 Remote Similarity NPD1696 Phase 3
0.5859 Remote Similarity NPD7515 Phase 2
0.5859 Remote Similarity NPD7087 Discontinued
0.5843 Remote Similarity NPD4190 Phase 3
0.5843 Remote Similarity NPD5275 Approved
0.58 Remote Similarity NPD4202 Approved
0.58 Remote Similarity NPD5778 Approved
0.58 Remote Similarity NPD5779 Approved
0.5789 Remote Similarity NPD3668 Phase 3
0.5784 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5784 Remote Similarity NPD5222 Approved
0.5784 Remote Similarity NPD5221 Approved
0.5761 Remote Similarity NPD4195 Approved
0.5758 Remote Similarity NPD7136 Phase 2
0.5728 Remote Similarity NPD5173 Approved
0.57 Remote Similarity NPD7637 Suspended
0.5699 Remote Similarity NPD4695 Discontinued
0.5673 Remote Similarity NPD5290 Discontinued
0.5644 Remote Similarity NPD6399 Phase 3
0.5631 Remote Similarity NPD4697 Phase 3
0.5619 Remote Similarity NPD5286 Approved
0.5619 Remote Similarity NPD5285 Approved
0.5619 Remote Similarity NPD4696 Approved

Structure

External Identifiers

PubChem CID   23425337
ChEMBL   CHEMBL452674
ZINC  

Physicochemical Properties

Molecular Weight:  373.99
ALogP:  2.6897
MLogP:  2.78
XLogP:  4.44
# Rotatable Bonds:  5
Polar Surface Area:  20.23
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  18

Download Data

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Similar NPs/Drugs