Natural Product: NPC133420

Natural Product ID:  NPC133420
Common Name:   (-)-Isoelaeocarpiline
IUPAC Name:   (6aR,11S,12aS,12bS)-11-methyl-1,2,3,5,6,6a,10,11,12a,12b-decahydrochromeno[2,3-g]indolizin-12-one
Synonyms:   (-)-Isoelaeocarpiline
Molecular Formula:   C16H21NO2
Standard InCHIKey:  RETGXUCYBMOWOH-MEDZGJRSSA-N
Standard InCHI:  InChI=1S/C16H21NO2/c1-10-4-2-6-12-14(10)16(18)15-11-5-3-8-17(11)9-7-13(15)19-12/h2,6,10-11,13,15H,3-5,7-9H2,1H3/t10-,11-,13+,15-/m0/s1
Canonical SMILES:  C[C@H]1CC=CC2=C1C(=O)[C@@H]1[C@H](O2)CCN2[C@H]1CCC2
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
NPO9570 Elaeocarpus grandis Species Elaeocarpaceae Eukaryota Australian rainforest PMID[16989522]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT271 Individual Protein Delta opioid receptor Homo sapiens IC50 = 9900 nM 20496923

  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 NPC133420 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
0.8113 Intermediate Similarity NPC87919
0.7963 Intermediate Similarity NPC176773
0.7087 Intermediate Similarity NPC130436
0.7087 Intermediate Similarity NPC469861
0.7087 Intermediate Similarity NPC469860
0.7064 Intermediate Similarity NPC241426
0.699 Remote Similarity NPC76283
0.6964 Remote Similarity NPC473289
0.6916 Remote Similarity NPC110875
0.6916 Remote Similarity NPC299808
0.6916 Remote Similarity NPC118844
0.6916 Remote Similarity NPC72183
0.6909 Remote Similarity NPC476344
0.6842 Remote Similarity NPC75523
0.6748 Remote Similarity NPC477143
0.6748 Remote Similarity NPC477140
0.6727 Remote Similarity NPC150041
0.6696 Remote Similarity NPC270813
0.6667 Remote Similarity NPC470535
0.661 Remote Similarity NPC470536
0.6593 Remote Similarity NPC281104
0.6581 Remote Similarity NPC271562
0.6579 Remote Similarity NPC474348
0.6569 Remote Similarity NPC471768
0.6562 Remote Similarity NPC317654
0.6562 Remote Similarity NPC96010
0.6555 Remote Similarity NPC63511
0.6552 Remote Similarity NPC44514
0.6518 Remote Similarity NPC476449
0.6514 Remote Similarity NPC469372
0.6514 Remote Similarity NPC253177
0.6514 Remote Similarity NPC280592
0.6514 Remote Similarity NPC213636
0.6512 Remote Similarity NPC478136
0.65 Remote Similarity NPC58281
0.6496 Remote Similarity NPC93179
0.6489 Remote Similarity NPC261730
0.6489 Remote Similarity NPC120335
0.6484 Remote Similarity NPC477987
0.6484 Remote Similarity NPC329401
0.6455 Remote Similarity NPC296114
0.6455 Remote Similarity NPC471329
0.6455 Remote Similarity NPC166110
0.6452 Remote Similarity NPC471673
0.6446 Remote Similarity NPC43648
0.6406 Remote Similarity NPC469999
0.6396 Remote Similarity NPC248193
0.6389 Remote Similarity NPC113370
0.6389 Remote Similarity NPC103743
0.6389 Remote Similarity NPC476079
0.6385 Remote Similarity NPC173173
0.6364 Remote Similarity NPC212679
0.6364 Remote Similarity NPC220454
0.6364 Remote Similarity NPC44733
0.6364 Remote Similarity NPC469595
0.6355 Remote Similarity NPC307112
0.6351 Remote Similarity NPC133817
0.6351 Remote Similarity NPC476443
0.6349 Remote Similarity NPC11379
0.6339 Remote Similarity NPC477241
0.6333 Remote Similarity NPC24389
0.6325 Remote Similarity NPC271059
0.6325 Remote Similarity NPC25666
0.632 Remote Similarity NPC174463
0.6316 Remote Similarity NPC472162
0.6316 Remote Similarity NPC472167
0.6306 Remote Similarity NPC193396
0.6306 Remote Similarity NPC32944
0.6293 Remote Similarity NPC175531
0.6293 Remote Similarity NPC469657
0.6293 Remote Similarity NPC469851
0.6293 Remote Similarity NPC244456
0.6293 Remote Similarity NPC313234
0.6288 Remote Similarity NPC215507
0.6288 Remote Similarity NPC477988
0.6279 Remote Similarity NPC291027
0.6279 Remote Similarity NPC213126
0.6279 Remote Similarity NPC317474
0.6279 Remote Similarity NPC169485
0.6279 Remote Similarity NPC84281
0.6279 Remote Similarity NPC26285
0.6273 Remote Similarity NPC95364
0.6273 Remote Similarity NPC142159
0.6273 Remote Similarity NPC280833
0.627 Remote Similarity NPC477986
0.627 Remote Similarity NPC138534
0.625 Remote Similarity NPC470072
0.624 Remote Similarity NPC65045
0.624 Remote Similarity NPC469997
0.6239 Remote Similarity NPC473525
0.6239 Remote Similarity NPC469598
0.6239 Remote Similarity NPC125925
0.6233 Remote Similarity NPC475342
0.623 Remote Similarity NPC21713
0.623 Remote Similarity NPC475608
0.6222 Remote Similarity NPC239252
0.6222 Remote Similarity NPC473703
0.622 Remote Similarity NPC230849
0.6218 Remote Similarity NPC86906
0.6198 Remote Similarity NPC274895
0.6198 Remote Similarity NPC21324
0.6197 Remote Similarity NPC471674
0.6197 Remote Similarity NPC201899
0.6186 Remote Similarity NPC474563
0.6182 Remote Similarity NPC472302
0.6182 Remote Similarity NPC143025
0.6174 Remote Similarity NPC239895
0.6168 Remote Similarity NPC16488
0.6168 Remote Similarity NPC288281
0.6168 Remote Similarity NPC475083
0.6161 Remote Similarity NPC190442
0.616 Remote Similarity NPC288629
0.6154 Remote Similarity NPC194028
0.6154 Remote Similarity NPC314792
0.6154 Remote Similarity NPC188785
0.6154 Remote Similarity NPC77703
0.6154 Remote Similarity NPC168319
0.6147 Remote Similarity NPC322672
0.6134 Remote Similarity NPC477000
0.6134 Remote Similarity NPC477001
0.6132 Remote Similarity NPC42470
0.6129 Remote Similarity NPC477963
0.6119 Remote Similarity NPC81092
0.6119 Remote Similarity NPC103605
0.6116 Remote Similarity NPC220730
0.6115 Remote Similarity NPC315848
0.6115 Remote Similarity NPC315210
0.6111 Remote Similarity NPC476190
0.6111 Remote Similarity NPC243298
0.6106 Remote Similarity NPC229976
0.6103 Remote Similarity NPC99864
0.6095 Remote Similarity NPC472965
0.6095 Remote Similarity NPC264227
0.6095 Remote Similarity NPC63649
0.6095 Remote Similarity NPC150646
0.6094 Remote Similarity NPC13351
0.6091 Remote Similarity NPC23622
0.6091 Remote Similarity NPC38885
0.6091 Remote Similarity NPC478144
0.6091 Remote Similarity NPC324506
0.6087 Remote Similarity NPC112654
0.6087 Remote Similarity NPC93271
0.6087 Remote Similarity NPC135576
0.6083 Remote Similarity NPC469852
0.6083 Remote Similarity NPC195841
0.6083 Remote Similarity NPC233256
0.6077 Remote Similarity NPC477989
0.6077 Remote Similarity NPC293550
0.6077 Remote Similarity NPC16709
0.6077 Remote Similarity NPC323168
0.6077 Remote Similarity NPC477990
0.6077 Remote Similarity NPC111162
0.6071 Remote Similarity NPC8062
0.6068 Remote Similarity NPC316730
0.6068 Remote Similarity NPC54705
0.6063 Remote Similarity NPC201889
0.6063 Remote Similarity NPC106791
0.6061 Remote Similarity NPC285394
0.6058 Remote Similarity NPC41780
0.6058 Remote Similarity NPC187568
0.6058 Remote Similarity NPC316324
0.6055 Remote Similarity NPC281172
0.6055 Remote Similarity NPC177932
0.6055 Remote Similarity NPC319913
0.6055 Remote Similarity NPC473353
0.6055 Remote Similarity NPC296589
0.6055 Remote Similarity NPC470048
0.6053 Remote Similarity NPC477129
0.6053 Remote Similarity NPC477130
0.605 Remote Similarity NPC199831
0.605 Remote Similarity NPC474828
0.605 Remote Similarity NPC473144
0.605 Remote Similarity NPC474827
0.605 Remote Similarity NPC297281
0.605 Remote Similarity NPC68001
0.6048 Remote Similarity NPC314550
0.6047 Remote Similarity NPC23963
0.6047 Remote Similarity NPC470000
0.6045 Remote Similarity NPC478139
0.6043 Remote Similarity NPC25025
0.6036 Remote Similarity NPC478260
0.6036 Remote Similarity NPC478259
0.6036 Remote Similarity NPC478261
0.6034 Remote Similarity NPC53844
0.6029 Remote Similarity NPC475987
0.6029 Remote Similarity NPC120420
0.6029 Remote Similarity NPC313348
0.6019 Remote Similarity NPC193198
0.6018 Remote Similarity NPC478244
0.6018 Remote Similarity NPC478243
0.6017 Remote Similarity NPC144714
0.6017 Remote Similarity NPC100810
0.6016 Remote Similarity NPC245320
0.6016 Remote Similarity NPC241050
0.6016 Remote Similarity NPC476290
0.6 Remote Similarity NPC64168
0.6 Remote Similarity NPC295347
0.6 Remote Similarity NPC471220
0.6 Remote Similarity NPC470050
0.6 Remote Similarity NPC31021

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC133420 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
0.6972 Remote Similarity NPD5349 Clinical (unspecified phase)
0.6593 Remote Similarity NPD2567 Approved
0.6593 Remote Similarity NPD2569 Approved
0.6279 Remote Similarity NPD4217 Approved
0.6279 Remote Similarity NPD2612 Approved
0.6279 Remote Similarity NPD4218 Approved
0.6279 Remote Similarity NPD3131 Approved
0.6279 Remote Similarity NPD2608 Approved
0.6279 Remote Similarity NPD3132 Approved
0.6279 Remote Similarity NPD2609 Approved
0.6279 Remote Similarity NPD2610 Approved
0.6279 Remote Similarity NPD4215 Approved
0.6279 Remote Similarity NPD2611 Approved
0.6279 Remote Similarity NPD4216 Approved
0.625 Remote Similarity NPD2838 Clinical (unspecified phase)
0.6231 Remote Similarity NPD8273 Phase 1
0.6179 Remote Similarity NPD4571 Approved
0.6179 Remote Similarity NPD4572 Approved
0.6179 Remote Similarity NPD4573 Approved
0.616 Remote Similarity NPD1711 Phase 2
0.6129 Remote Similarity NPD1376 Discontinued
0.6103 Remote Similarity NPD8415 Approved
0.6074 Remote Similarity NPD6845 Suspended
0.6061 Remote Similarity NPD5158 Clinical (unspecified phase)
0.6061 Remote Similarity NPD5157 Phase 1
0.6061 Remote Similarity NPD5159 Phase 2
0.6055 Remote Similarity NPD1694 Approved
0.6029 Remote Similarity NPD6039 Approved
0.602 Remote Similarity NPD616 Clinical (unspecified phase)
0.6016 Remote Similarity NPD2116 Approved
0.6016 Remote Similarity NPD2117 Pre-registration
0.6016 Remote Similarity NPD2115 Approved
0.6 Remote Similarity NPD2697 Approved
0.6 Remote Similarity NPD2694 Approved
0.6 Remote Similarity NPD7260 Phase 2
0.6 Remote Similarity NPD2695 Approved
0.6 Remote Similarity NPD2696 Approved
0.5985 Remote Similarity NPD8451 Approved
0.5969 Remote Similarity NPD2994 Approved
0.5956 Remote Similarity NPD2613 Approved
0.5952 Remote Similarity NPD1000 Clinical (unspecified phase)
0.595 Remote Similarity NPD7333 Discontinued
0.5942 Remote Similarity NPD8387 Clinical (unspecified phase)
0.594 Remote Similarity NPD8448 Approved
0.5926 Remote Similarity NPD8391 Approved
0.5926 Remote Similarity NPD8390 Approved
0.5926 Remote Similarity NPD5209 Approved
0.5926 Remote Similarity NPD8392 Approved
0.5923 Remote Similarity NPD3032 Approved
0.5923 Remote Similarity NPD3030 Approved
0.5923 Remote Similarity NPD7739 Clinical (unspecified phase)
0.5923 Remote Similarity NPD3031 Approved
0.5878 Remote Similarity NPD7624 Clinical (unspecified phase)
0.5878 Remote Similarity NPD7623 Phase 3
0.5852 Remote Similarity NPD2159 Approved
0.5852 Remote Similarity NPD2626 Approved
0.5852 Remote Similarity NPD2628 Approved
0.5852 Remote Similarity NPD2625 Approved
0.5852 Remote Similarity NPD2627 Approved
0.5852 Remote Similarity NPD2160 Approved
0.5846 Remote Similarity NPD7299 Clinical (unspecified phase)
0.584 Remote Similarity NPD2204 Approved
0.5833 Remote Similarity NPD7642 Approved
0.5833 Remote Similarity NPD2946 Phase 2
0.5827 Remote Similarity NPD2573 Approved
0.5827 Remote Similarity NPD2566 Approved
0.5827 Remote Similarity NPD2574 Discontinued
0.5827 Remote Similarity NPD7713 Phase 3
0.5827 Remote Similarity NPD3090 Approved
0.5827 Remote Similarity NPD3615 Approved
0.5827 Remote Similarity NPD4746 Phase 3
0.5827 Remote Similarity NPD3614 Approved
0.5827 Remote Similarity NPD3087 Approved
0.5827 Remote Similarity NPD2570 Approved
0.5827 Remote Similarity NPD3088 Approved
0.5827 Remote Similarity NPD4745 Approved
0.5827 Remote Similarity NPD2572 Clinical (unspecified phase)
0.5827 Remote Similarity NPD3089 Approved
0.5827 Remote Similarity NPD3616 Approved
0.5827 Remote Similarity NPD2571 Approved
0.5821 Remote Similarity NPD7746 Phase 1
0.5821 Remote Similarity NPD7747 Phase 1
0.5814 Remote Similarity NPD7641 Discontinued
0.5789 Remote Similarity NPD8340 Approved
0.5789 Remote Similarity NPD8299 Approved
0.5789 Remote Similarity NPD8341 Approved
0.5789 Remote Similarity NPD8342 Approved
0.5778 Remote Similarity NPD8336 Approved
0.5778 Remote Similarity NPD8337 Approved
0.5778 Remote Similarity NPD5667 Approved
0.5776 Remote Similarity NPD5282 Discontinued
0.5772 Remote Similarity NPD3526 Approved
0.5772 Remote Similarity NPD3524 Approved
0.5758 Remote Similarity NPD8080 Discontinued
0.5745 Remote Similarity NPD4684 Phase 3
0.5745 Remote Similarity NPD4686 Approved
0.5745 Remote Similarity NPD4685 Phase 3
0.5736 Remote Similarity NPD8137 Clinical (unspecified phase)
0.5736 Remote Similarity NPD7500 Approved
0.5734 Remote Similarity NPD8384 Approved
0.5725 Remote Similarity NPD8338 Approved
0.5714 Remote Similarity NPD2201 Approved
0.5714 Remote Similarity NPD8039 Approved
0.5714 Remote Similarity NPD7830 Approved
0.5714 Remote Similarity NPD7116 Clinical (unspecified phase)
0.5714 Remote Similarity NPD7829 Approved
0.5702 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5702 Remote Similarity NPD6101 Approved
0.5693 Remote Similarity NPD6914 Discontinued
0.5692 Remote Similarity NPD4574 Approved
0.5692 Remote Similarity NPD4576 Approved
0.5682 Remote Similarity NPD8274 Clinical (unspecified phase)
0.5674 Remote Similarity NPD6311 Approved
0.5674 Remote Similarity NPD3142 Approved
0.5674 Remote Similarity NPD6309 Approved
0.5674 Remote Similarity NPD3140 Approved
0.5674 Remote Similarity NPD6310 Approved
0.5636 Remote Similarity NPD4752 Clinical (unspecified phase)
0.5625 Remote Similarity NPD2607 Approved
0.5603 Remote Similarity NPD6411 Approved

Structure

External Identifiers

PubChem CID   44583898
ChEMBL   CHEMBL521711
ZINC  

Physicochemical Properties

Molecular Weight:  259.16
ALogP:  -1.002
MLogP:  2.89
XLogP:  1.716
# Rotatable Bonds:  1
Polar Surface Area:  29.54
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  19

Download Data

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Similar NPs/Drugs