Natural Product: NPC35397

Natural Product ID:  NPC35397
Common Name:   Deschloroelatol
IUPAC Name:   (3S,4R,6R)-4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-en-3-ol
Synonyms:   Deschloroelatol
Molecular Formula:   C15H23BrO
Standard InCHIKey:  APALGGYWOOAWLG-YDHLFZDLSA-N
Standard InCHI:  InChI=1S/C15H23BrO/c1-10-5-7-15(8-6-10)11(2)9-12(17)13(16)14(15,3)4/h5,12-13,17H,2,6-9H2,1,3-4H3/t12-,13-,15-/m0/s1
Canonical SMILES:  CC1=CC[C@]2(CC1)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
NPO18850 Aplysia dactylomela Species Aplysiidae Eukaryota PMID[16309323]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1232 Organism Eurotium repens Eurotium repens IZ = 18 mm 19822701
NPT637 Organism Fusarium oxysporum Fusarium oxysporum IZ = 0 mm 19822701
NPT189 Cell Line Vero Chlorocebus aethiops IC50 > 67000 nM PubChem BioAssay data set
NPT1171 Cell Line HEp-2 Homo sapiens IC50 > 67000 nM PubChem BioAssay data set
NPT1231 Organism Microbotryum violaceum Microbotryum violaceum IZ = 0 mm 10.6019/CHEMBL3301361
NPT1233 Organism Mycotypha microspora Mycotypha microspora IZ = 20 mm 10.6019/CHEMBL3301361
NPT1171 Cell Line HEp-2 Homo sapiens IC50 > 67000 nM 23758051
NPT165 Cell Line HeLa Homo sapiens IC50 > 67000 nM 9358635
NPT1234 Organism Chlorella fusca Chlorella fusca IZ = 2 mm 19103488
NPT19 Organism Escherichia coli Escherichia coli IZ = 0 mm 21652215
NPT1230 Organism Bacillus megaterium Bacillus megaterium IZ = 1 mm 21652215

  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 NPC35397 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 NPC474946
0.9315 High Similarity NPC215307
0.9315 High Similarity NPC274750
0.9189 High Similarity NPC31330
0.9067 High Similarity NPC113024
0.8947 High Similarity NPC311891
0.8333 Intermediate Similarity NPC15714
0.8293 Intermediate Similarity NPC109900
0.8205 Intermediate Similarity NPC83436
0.8108 Intermediate Similarity NPC92801
0.8082 Intermediate Similarity NPC96484
0.8082 Intermediate Similarity NPC208999
0.7976 Intermediate Similarity NPC188896
0.7821 Intermediate Similarity NPC61080
0.7805 Intermediate Similarity NPC97491
0.7805 Intermediate Similarity NPC273356
0.7763 Intermediate Similarity NPC164022
0.7711 Intermediate Similarity NPC282598
0.7674 Intermediate Similarity NPC239453
0.7674 Intermediate Similarity NPC224552
0.7662 Intermediate Similarity NPC182717
0.7662 Intermediate Similarity NPC476609
0.7662 Intermediate Similarity NPC471799
0.7647 Intermediate Similarity NPC174273
0.764 Intermediate Similarity NPC299714
0.764 Intermediate Similarity NPC257510
0.7632 Intermediate Similarity NPC145498
0.7595 Intermediate Similarity NPC265588
0.7568 Intermediate Similarity NPC202017
0.7564 Intermediate Similarity NPC243342
0.7564 Intermediate Similarity NPC471797
0.7564 Intermediate Similarity NPC477138
0.7564 Intermediate Similarity NPC100334
0.7558 Intermediate Similarity NPC131453
0.7534 Intermediate Similarity NPC225415
0.7534 Intermediate Similarity NPC290367
0.7532 Intermediate Similarity NPC242992
0.7532 Intermediate Similarity NPC242001
0.7532 Intermediate Similarity NPC110799
0.7532 Intermediate Similarity NPC167706
0.7531 Intermediate Similarity NPC129501
0.75 Intermediate Similarity NPC474248
0.75 Intermediate Similarity NPC471798
0.7468 Intermediate Similarity NPC285893
0.7468 Intermediate Similarity NPC304309
0.7468 Intermediate Similarity NPC136188
0.7468 Intermediate Similarity NPC257347
0.7468 Intermediate Similarity NPC162742
0.7468 Intermediate Similarity NPC476605
0.7468 Intermediate Similarity NPC141071
0.7468 Intermediate Similarity NPC22105
0.7468 Intermediate Similarity NPC291503
0.7468 Intermediate Similarity NPC230301
0.7468 Intermediate Similarity NPC477923
0.7468 Intermediate Similarity NPC288035
0.7468 Intermediate Similarity NPC471723
0.7468 Intermediate Similarity NPC66566
0.7468 Intermediate Similarity NPC134847
0.7468 Intermediate Similarity NPC28657
0.7436 Intermediate Similarity NPC265485
0.7436 Intermediate Similarity NPC220939
0.7407 Intermediate Similarity NPC22955
0.7407 Intermediate Similarity NPC470396
0.7407 Intermediate Similarity NPC474989
0.7407 Intermediate Similarity NPC275910
0.7407 Intermediate Similarity NPC99168
0.7403 Intermediate Similarity NPC34834
0.7375 Intermediate Similarity NPC113733
0.7375 Intermediate Similarity NPC129165
0.7375 Intermediate Similarity NPC300324
0.7375 Intermediate Similarity NPC134330
0.7375 Intermediate Similarity NPC477925
0.7375 Intermediate Similarity NPC321381
0.7375 Intermediate Similarity NPC107059
0.7375 Intermediate Similarity NPC470362
0.7375 Intermediate Similarity NPC96319
0.7375 Intermediate Similarity NPC120098
0.7375 Intermediate Similarity NPC274079
0.7375 Intermediate Similarity NPC321016
0.7375 Intermediate Similarity NPC122418
0.7375 Intermediate Similarity NPC240604
0.7375 Intermediate Similarity NPC46160
0.7375 Intermediate Similarity NPC106364
0.7375 Intermediate Similarity NPC30590
0.7375 Intermediate Similarity NPC202642
0.7375 Intermediate Similarity NPC189883
0.7375 Intermediate Similarity NPC265328
0.7375 Intermediate Similarity NPC290598
0.7375 Intermediate Similarity NPC27765
0.7342 Intermediate Similarity NPC91858
0.7333 Intermediate Similarity NPC473929
0.7317 Intermediate Similarity NPC291379
0.7317 Intermediate Similarity NPC53744
0.7308 Intermediate Similarity NPC23954
0.7308 Intermediate Similarity NPC477792
0.7297 Intermediate Similarity NPC323424
0.7297 Intermediate Similarity NPC144650
0.7297 Intermediate Similarity NPC68656
0.7297 Intermediate Similarity NPC96793
0.7284 Intermediate Similarity NPC198968
0.7284 Intermediate Similarity NPC34177
0.7284 Intermediate Similarity NPC157996
0.7284 Intermediate Similarity NPC91594
0.7284 Intermediate Similarity NPC155986
0.7284 Intermediate Similarity NPC40394
0.7284 Intermediate Similarity NPC90979
0.7284 Intermediate Similarity NPC477924
0.7284 Intermediate Similarity NPC34019
0.7284 Intermediate Similarity NPC472805
0.7284 Intermediate Similarity NPC101475
0.7284 Intermediate Similarity NPC318495
0.7284 Intermediate Similarity NPC214570
0.726 Intermediate Similarity NPC194208
0.726 Intermediate Similarity NPC79576
0.726 Intermediate Similarity NPC282694
0.725 Intermediate Similarity NPC322353
0.725 Intermediate Similarity NPC118508
0.725 Intermediate Similarity NPC121744
0.725 Intermediate Similarity NPC138374
0.725 Intermediate Similarity NPC34700
0.7237 Intermediate Similarity NPC171225
0.7237 Intermediate Similarity NPC96962
0.7237 Intermediate Similarity NPC114651
0.7237 Intermediate Similarity NPC197805
0.7215 Intermediate Similarity NPC474140
0.7215 Intermediate Similarity NPC68443
0.7209 Intermediate Similarity NPC313115
0.72 Intermediate Similarity NPC2728
0.72 Intermediate Similarity NPC208198
0.72 Intermediate Similarity NPC172613
0.72 Intermediate Similarity NPC282619
0.72 Intermediate Similarity NPC60837
0.72 Intermediate Similarity NPC11555
0.7195 Intermediate Similarity NPC83351
0.7195 Intermediate Similarity NPC307965
0.7195 Intermediate Similarity NPC476314
0.7195 Intermediate Similarity NPC230295
0.7195 Intermediate Similarity NPC18603
0.7195 Intermediate Similarity NPC477522
0.7195 Intermediate Similarity NPC167891
0.7195 Intermediate Similarity NPC473943
0.7195 Intermediate Similarity NPC196753
0.7195 Intermediate Similarity NPC76931
0.7195 Intermediate Similarity NPC253807
0.7195 Intermediate Similarity NPC474216
0.7195 Intermediate Similarity NPC318136
0.7195 Intermediate Similarity NPC300499
0.7195 Intermediate Similarity NPC205455
0.7195 Intermediate Similarity NPC158662
0.7195 Intermediate Similarity NPC186191
0.7195 Intermediate Similarity NPC87604
0.7195 Intermediate Similarity NPC98386
0.7174 Intermediate Similarity NPC156912
0.7162 Intermediate Similarity NPC83200
0.716 Intermediate Similarity NPC237460
0.716 Intermediate Similarity NPC253190
0.716 Intermediate Similarity NPC476607
0.716 Intermediate Similarity NPC73875
0.716 Intermediate Similarity NPC106432
0.716 Intermediate Similarity NPC476606
0.716 Intermediate Similarity NPC30575
0.7143 Intermediate Similarity NPC476646
0.7143 Intermediate Similarity NPC276616
0.7143 Intermediate Similarity NPC473420
0.7143 Intermediate Similarity NPC216460
0.7143 Intermediate Similarity NPC471238
0.7143 Intermediate Similarity NPC474531
0.7125 Intermediate Similarity NPC306727
0.7125 Intermediate Similarity NPC469533
0.7125 Intermediate Similarity NPC469593
0.7125 Intermediate Similarity NPC469534
0.7125 Intermediate Similarity NPC476366
0.7125 Intermediate Similarity NPC201048
0.7108 Intermediate Similarity NPC47982
0.7108 Intermediate Similarity NPC472463
0.7108 Intermediate Similarity NPC30986
0.7108 Intermediate Similarity NPC81306
0.7108 Intermediate Similarity NPC109546
0.7108 Intermediate Similarity NPC328714
0.7108 Intermediate Similarity NPC476603
0.7108 Intermediate Similarity NPC143182
0.7108 Intermediate Similarity NPC476610
0.7108 Intermediate Similarity NPC209430
0.7108 Intermediate Similarity NPC84694
0.7108 Intermediate Similarity NPC28862
0.7108 Intermediate Similarity NPC1319
0.7105 Intermediate Similarity NPC476039
0.7105 Intermediate Similarity NPC475897
0.7105 Intermediate Similarity NPC222366
0.7105 Intermediate Similarity NPC286669
0.7097 Intermediate Similarity NPC92231
0.7097 Intermediate Similarity NPC34732
0.7089 Intermediate Similarity NPC475077
0.7073 Intermediate Similarity NPC470711
0.7073 Intermediate Similarity NPC197659
0.7073 Intermediate Similarity NPC130136
0.7073 Intermediate Similarity NPC470758
0.7073 Intermediate Similarity NPC283619
0.7067 Intermediate Similarity NPC101128
0.7059 Intermediate Similarity NPC248886

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC35397 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
0.7468 Intermediate Similarity NPD6942 Approved
0.7468 Intermediate Similarity NPD7339 Approved
0.7375 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7108 Intermediate Similarity NPD7645 Phase 2
0.6914 Remote Similarity NPD6924 Approved
0.6914 Remote Similarity NPD6926 Approved
0.6875 Remote Similarity NPD7150 Approved
0.6875 Remote Similarity NPD7151 Approved
0.6875 Remote Similarity NPD7152 Approved
0.686 Remote Similarity NPD3667 Approved
0.6835 Remote Similarity NPD6923 Approved
0.6835 Remote Similarity NPD6922 Approved
0.6829 Remote Similarity NPD8264 Approved
0.6824 Remote Similarity NPD7525 Registered
0.675 Remote Similarity NPD7144 Approved
0.675 Remote Similarity NPD7143 Approved
0.6747 Remote Similarity NPD6933 Approved
0.6705 Remote Similarity NPD4786 Approved
0.6628 Remote Similarity NPD4748 Discontinued
0.6628 Remote Similarity NPD7509 Discontinued
0.6556 Remote Similarity NPD3618 Phase 1
0.6512 Remote Similarity NPD6929 Approved
0.6506 Remote Similarity NPD4784 Approved
0.6506 Remote Similarity NPD4785 Approved
0.6484 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6463 Remote Similarity NPD4243 Approved
0.6438 Remote Similarity NPD342 Phase 1
0.6437 Remote Similarity NPD6930 Phase 2
0.6437 Remote Similarity NPD6931 Approved
0.6364 Remote Similarity NPD368 Approved
0.6344 Remote Similarity NPD5328 Approved
0.6333 Remote Similarity NPD3666 Approved
0.6333 Remote Similarity NPD3665 Phase 1
0.6333 Remote Similarity NPD3133 Approved
0.6279 Remote Similarity NPD5776 Phase 2
0.6279 Remote Similarity NPD6932 Approved
0.6279 Remote Similarity NPD6925 Approved
0.6235 Remote Similarity NPD4190 Phase 3
0.6235 Remote Similarity NPD5275 Approved
0.6222 Remote Similarity NPD6695 Phase 3
0.6211 Remote Similarity NPD7515 Phase 2
0.6211 Remote Similarity NPD6079 Approved
0.6207 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6207 Remote Similarity NPD7145 Approved
0.6154 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6154 Remote Similarity NPD3668 Phase 3
0.6146 Remote Similarity NPD4202 Approved
0.6136 Remote Similarity NPD6683 Phase 2
0.6087 Remote Similarity NPD6893 Approved
0.6067 Remote Similarity NPD7332 Phase 2
0.6067 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6067 Remote Similarity NPD7514 Phase 3
0.6022 Remote Similarity NPD5279 Phase 3
0.6 Remote Similarity NPD6898 Phase 1
0.6 Remote Similarity NPD6902 Approved
0.5979 Remote Similarity NPD6399 Phase 3
0.596 Remote Similarity NPD5220 Clinical (unspecified phase)
0.596 Remote Similarity NPD5222 Approved
0.596 Remote Similarity NPD5221 Approved
0.596 Remote Similarity NPD4697 Phase 3
0.5957 Remote Similarity NPD7750 Discontinued
0.5957 Remote Similarity NPD7524 Approved
0.5955 Remote Similarity NPD4195 Approved
0.5921 Remote Similarity NPD4219 Approved
0.5918 Remote Similarity NPD7748 Approved
0.5914 Remote Similarity NPD1696 Phase 3
0.59 Remote Similarity NPD4755 Approved
0.59 Remote Similarity NPD5173 Approved
0.5889 Remote Similarity NPD4695 Discontinued
0.5876 Remote Similarity NPD6411 Approved
0.5843 Remote Similarity NPD3671 Phase 1
0.5842 Remote Similarity NPD5290 Discontinued
0.5833 Remote Similarity NPD4753 Phase 2
0.5825 Remote Similarity NPD7632 Discontinued
0.5784 Remote Similarity NPD5285 Approved
0.5784 Remote Similarity NPD4700 Approved
0.5784 Remote Similarity NPD5286 Approved
0.5784 Remote Similarity NPD4696 Approved
0.5775 Remote Similarity NPD384 Approved
0.5775 Remote Similarity NPD385 Approved
0.5766 Remote Similarity NPD6274 Approved
0.5761 Remote Similarity NPD4221 Approved
0.5761 Remote Similarity NPD4223 Phase 3
0.5745 Remote Similarity NPD7520 Clinical (unspecified phase)
0.5743 Remote Similarity NPD7902 Approved
0.5728 Remote Similarity NPD5223 Approved
0.5714 Remote Similarity NPD7087 Discontinued
0.5686 Remote Similarity NPD4225 Approved
0.5686 Remote Similarity NPD7638 Approved
0.5673 Remote Similarity NPD5224 Approved
0.5673 Remote Similarity NPD5225 Approved
0.5673 Remote Similarity NPD4633 Approved
0.5673 Remote Similarity NPD5211 Phase 2
0.5673 Remote Similarity NPD5226 Approved
0.567 Remote Similarity NPD6101 Approved
0.567 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5647 Remote Similarity NPD15 Approved
0.5647 Remote Similarity NPD791 Approved
0.5638 Remote Similarity NPD4197 Approved
0.5632 Remote Similarity NPD4732 Discontinued
0.5631 Remote Similarity NPD7639 Approved
0.5631 Remote Similarity NPD7640 Approved
0.5619 Remote Similarity NPD5175 Approved
0.5619 Remote Similarity NPD4754 Approved
0.5619 Remote Similarity NPD5174 Approved

Structure

External Identifiers

PubChem CID   479932
ChEMBL   CHEMBL513806
ZINC  

Physicochemical Properties

Molecular Weight:  298.09
ALogP:  2.8066
MLogP:  2.89
XLogP:  3.849
# Rotatable Bonds:  5
Polar Surface Area:  20.23
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  17

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Similar NPs/Drugs