Natural Product: NPC305157

Natural Product ID:  NPC305157
Common Name:   Isoplumericin
IUPAC Name:  
Synonyms:   Isoplumericin
Molecular Formula:   C15H14O6
Standard InCHIKey:  VFXXNAVZODKBIW-SIEBBUFOSA-N
Standard InCHI:  InChI=1S/C15H14O6/c1-3-7-11-15(21-13(7)17)5-4-8-9(12(16)18-2)6-19-14(20-11)10(8)15/h3-6,8,10-11,14H,1-2H3/b7-3-/t8-,10-,11+,14-,15+/m1/s1
Canonical SMILES:  COC(=O)C1=CO[C@H]2[C@H]3[C@@H]1C=C[C@@]13OC(=O)/C(=CC)/[C@@H]1O2
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
NPO18031 Russula vesca Species Russulaceae Eukaryota UNPD*
NPO17707 Dioscorea villosa Species Dioscoreaceae Eukaryota UNPD*
NPO10438 Tanacetum nubigenum Species Asteraceae Eukaryota UNPD*
NPO18768 Haliclona tubifera Species Chalinidae Eukaryota UNPD*
NPO3446 Acanthaster planci Species Acanthasteridae Eukaryota UNPD*
NPO15966 Sassafras officinalis Species Lauraceae Eukaryota UNPD*
NPO9524 Kalanchoe blossfeldiana Species Crassulaceae Eukaryota UNPD*
NPO23695 Setosphaeria turcica Species Pleosporaceae Eukaryota UNPD*
NPO6746 Blighia welwitschii Species Sapindaceae Eukaryota UNPD*
NPO29820 Allemanda cathartica NA NA NA TCM_Taiwan*
NPO16377 Juniperus ashei Species Cupressaceae Eukaryota UNPD*
NPO16254 Backhousia angustifolia Species Myrtaceae Eukaryota UNPD*
NPO2591 Io fluvialis Species Pleuroceridae Eukaryota UNPD*
NPO3990 Acacia salicina Species Fabaceae Eukaryota UNPD*
NPO17030 Calvatia lilacina Species Lycoperdaceae Eukaryota UNPD*
NPO13182 Achillea wilhelmsii Species Asteraceae Eukaryota UNPD*
NPO17373.1 Cunninghamia lanceolata var. konishii Varieties Cupressaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT140 Organism Artemia Artemia LC50 = 1.7 ppm 3379414
NPT2 Others Unspecified ED50 = 2.7 ug/ml 3379414
NPT141 Organism Agrobacterium tumefaciens Agrobacterium tumefaciens Inhibition = 44 % 3379414
NPT726 Cell Line M109 Mus musculus IC50 = 25 ug/ml 9428163
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae IC12 = 42 ug/ml 9428163

  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 NPC305157 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 NPC307846
0.9118 High Similarity NPC475960
0.901 High Similarity NPC474917
0.8208 Intermediate Similarity NPC469401
0.8155 Intermediate Similarity NPC279561
0.8077 Intermediate Similarity NPC469402
0.7981 Intermediate Similarity NPC208233
0.7963 Intermediate Similarity NPC254538
0.7963 Intermediate Similarity NPC474285
0.7961 Intermediate Similarity NPC35498
0.7822 Intermediate Similarity NPC80875
0.7778 Intermediate Similarity NPC203659
0.7767 Intermediate Similarity NPC473316
0.7767 Intermediate Similarity NPC476267
0.7767 Intermediate Similarity NPC473330
0.7767 Intermediate Similarity NPC140543
0.7757 Intermediate Similarity NPC13171
0.7757 Intermediate Similarity NPC195510
0.7745 Intermediate Similarity NPC261607
0.7745 Intermediate Similarity NPC300312
0.7745 Intermediate Similarity NPC111114
0.7719 Intermediate Similarity NPC277583
0.77 Intermediate Similarity NPC231889
0.7699 Intermediate Similarity NPC473535
0.7685 Intermediate Similarity NPC475871
0.7685 Intermediate Similarity NPC475945
0.7685 Intermediate Similarity NPC110989
0.767 Intermediate Similarity NPC179746
0.767 Intermediate Similarity NPC81419
0.7664 Intermediate Similarity NPC474742
0.7647 Intermediate Similarity NPC312042
0.7647 Intermediate Similarity NPC475748
0.7647 Intermediate Similarity NPC62815
0.7642 Intermediate Similarity NPC187268
0.7642 Intermediate Similarity NPC473307
0.7627 Intermediate Similarity NPC287236
0.7624 Intermediate Similarity NPC473151
0.7615 Intermediate Similarity NPC100487
0.7615 Intermediate Similarity NPC474741
0.7596 Intermediate Similarity NPC474338
0.7596 Intermediate Similarity NPC475832
0.7596 Intermediate Similarity NPC471147
0.7596 Intermediate Similarity NPC475927
0.7593 Intermediate Similarity NPC310804
0.7593 Intermediate Similarity NPC474747
0.7593 Intermediate Similarity NPC261117
0.7593 Intermediate Similarity NPC225353
0.7593 Intermediate Similarity NPC149371
0.7593 Intermediate Similarity NPC86077
0.7573 Intermediate Similarity NPC74103
0.7573 Intermediate Similarity NPC70595
0.7573 Intermediate Similarity NPC123177
0.7573 Intermediate Similarity NPC150978
0.7573 Intermediate Similarity NPC12172
0.7573 Intermediate Similarity NPC208886
0.7573 Intermediate Similarity NPC284185
0.757 Intermediate Similarity NPC288876
0.7549 Intermediate Similarity NPC166919
0.7549 Intermediate Similarity NPC151770
0.7547 Intermediate Similarity NPC153559
0.7547 Intermediate Similarity NPC471462
0.7525 Intermediate Similarity NPC475703
0.7525 Intermediate Similarity NPC74139
0.7524 Intermediate Similarity NPC304886
0.7524 Intermediate Similarity NPC475659
0.7522 Intermediate Similarity NPC474750
0.7521 Intermediate Similarity NPC476107
0.75 Intermediate Similarity NPC471145
0.75 Intermediate Similarity NPC47880
0.75 Intermediate Similarity NPC477511
0.75 Intermediate Similarity NPC135776
0.75 Intermediate Similarity NPC471146
0.75 Intermediate Similarity NPC38154
0.75 Intermediate Similarity NPC476300
0.75 Intermediate Similarity NPC264477
0.75 Intermediate Similarity NPC475912
0.7477 Intermediate Similarity NPC124181
0.7477 Intermediate Similarity NPC473326
0.7477 Intermediate Similarity NPC90819
0.7476 Intermediate Similarity NPC51004
0.7476 Intermediate Similarity NPC253144
0.7458 Intermediate Similarity NPC163693
0.7458 Intermediate Similarity NPC147635
0.7456 Intermediate Similarity NPC222834
0.7455 Intermediate Similarity NPC471143
0.7455 Intermediate Similarity NPC477510
0.7455 Intermediate Similarity NPC86095
0.7453 Intermediate Similarity NPC17585
0.7453 Intermediate Similarity NPC473859
0.7434 Intermediate Similarity NPC235014
0.7431 Intermediate Similarity NPC250545
0.7431 Intermediate Similarity NPC471599
0.7429 Intermediate Similarity NPC477131
0.7426 Intermediate Similarity NPC284902
0.7411 Intermediate Similarity NPC10150
0.7407 Intermediate Similarity NPC477512
0.7404 Intermediate Similarity NPC30515
0.7404 Intermediate Similarity NPC184463
0.7404 Intermediate Similarity NPC470379
0.7404 Intermediate Similarity NPC20713
0.7404 Intermediate Similarity NPC470373
0.74 Intermediate Similarity NPC41856
0.7395 Intermediate Similarity NPC473228
0.7395 Intermediate Similarity NPC204731
0.7395 Intermediate Similarity NPC470829
0.7391 Intermediate Similarity NPC470120
0.7387 Intermediate Similarity NPC243998
0.7387 Intermediate Similarity NPC223450
0.7387 Intermediate Similarity NPC153095
0.7383 Intermediate Similarity NPC40812
0.7379 Intermediate Similarity NPC307411
0.7364 Intermediate Similarity NPC475873
0.7358 Intermediate Similarity NPC471142
0.7358 Intermediate Similarity NPC241407
0.7358 Intermediate Similarity NPC90121
0.7358 Intermediate Similarity NPC14961
0.7358 Intermediate Similarity NPC291709
0.7358 Intermediate Similarity NPC224689
0.7358 Intermediate Similarity NPC270013
0.7358 Intermediate Similarity NPC167893
0.7358 Intermediate Similarity NPC193645
0.7358 Intermediate Similarity NPC48803
0.7358 Intermediate Similarity NPC36954
0.7358 Intermediate Similarity NPC275960
0.735 Intermediate Similarity NPC23046
0.7347 Intermediate Similarity NPC223904
0.7345 Intermediate Similarity NPC187876
0.7339 Intermediate Similarity NPC4637
0.7339 Intermediate Similarity NPC28304
0.7339 Intermediate Similarity NPC98859
0.7339 Intermediate Similarity NPC298255
0.7339 Intermediate Similarity NPC133907
0.7339 Intermediate Similarity NPC185141
0.7339 Intermediate Similarity NPC473332
0.7339 Intermediate Similarity NPC110443
0.7339 Intermediate Similarity NPC46998
0.7339 Intermediate Similarity NPC128733
0.7339 Intermediate Similarity NPC219038
0.7333 Intermediate Similarity NPC212486
0.7327 Intermediate Similarity NPC38468
0.7327 Intermediate Similarity NPC215364
0.7327 Intermediate Similarity NPC319795
0.7327 Intermediate Similarity NPC50362
0.7321 Intermediate Similarity NPC148270
0.7321 Intermediate Similarity NPC26617
0.7321 Intermediate Similarity NPC197813
0.7321 Intermediate Similarity NPC80338
0.7315 Intermediate Similarity NPC471144
0.7315 Intermediate Similarity NPC261377
0.7315 Intermediate Similarity NPC83895
0.7315 Intermediate Similarity NPC141191
0.7315 Intermediate Similarity NPC187761
0.7315 Intermediate Similarity NPC308567
0.7315 Intermediate Similarity NPC54843
0.7315 Intermediate Similarity NPC255592
0.7311 Intermediate Similarity NPC151616
0.7308 Intermediate Similarity NPC49342
0.7308 Intermediate Similarity NPC71533
0.7308 Intermediate Similarity NPC106510
0.7308 Intermediate Similarity NPC251385
0.7304 Intermediate Similarity NPC471570
0.73 Intermediate Similarity NPC170286
0.73 Intermediate Similarity NPC39588
0.73 Intermediate Similarity NPC272814
0.73 Intermediate Similarity NPC475947
0.729 Intermediate Similarity NPC301596
0.729 Intermediate Similarity NPC476315
0.729 Intermediate Similarity NPC306041
0.729 Intermediate Similarity NPC299396
0.729 Intermediate Similarity NPC172998
0.7288 Intermediate Similarity NPC475309
0.7288 Intermediate Similarity NPC13710
0.7282 Intermediate Similarity NPC202672
0.7264 Intermediate Similarity NPC262133
0.7264 Intermediate Similarity NPC303942
0.7264 Intermediate Similarity NPC474035
0.7264 Intermediate Similarity NPC167219
0.7264 Intermediate Similarity NPC323008
0.7264 Intermediate Similarity NPC81386
0.7264 Intermediate Similarity NPC289004
0.7264 Intermediate Similarity NPC470010
0.7264 Intermediate Similarity NPC57405
0.7264 Intermediate Similarity NPC470013
0.7264 Intermediate Similarity NPC71589
0.7257 Intermediate Similarity NPC110701
0.7255 Intermediate Similarity NPC50637
0.7255 Intermediate Similarity NPC107787
0.7248 Intermediate Similarity NPC255677
0.7248 Intermediate Similarity NPC306344
0.7248 Intermediate Similarity NPC473146
0.7248 Intermediate Similarity NPC22149
0.7238 Intermediate Similarity NPC131209
0.7238 Intermediate Similarity NPC133698
0.7236 Intermediate Similarity NPC298841
0.7232 Intermediate Similarity NPC170432
0.7232 Intermediate Similarity NPC314244
0.7227 Intermediate Similarity NPC475834
0.7227 Intermediate Similarity NPC474179
0.7222 Intermediate Similarity NPC169205
0.7222 Intermediate Similarity NPC471140

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC305157 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
0.7358 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.7327 Intermediate Similarity NPD1733 Clinical (unspecified phase)
0.7321 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.7212 Intermediate Similarity NPD1695 Approved
0.7107 Intermediate Similarity NPD8513 Phase 3
0.7103 Intermediate Similarity NPD5282 Discontinued
0.6967 Remote Similarity NPD8517 Approved
0.6967 Remote Similarity NPD8516 Approved
0.6967 Remote Similarity NPD8515 Approved
0.6957 Remote Similarity NPD6686 Approved
0.6838 Remote Similarity NPD6371 Approved
0.678 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6723 Remote Similarity NPD6053 Discontinued
0.6696 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6698 Approved
0.6667 Remote Similarity NPD46 Approved
0.6606 Remote Similarity NPD7983 Approved
0.6589 Remote Similarity NPD7319 Approved
0.6587 Remote Similarity NPD7642 Approved
0.6512 Remote Similarity NPD7736 Approved
0.6509 Remote Similarity NPD1694 Approved
0.6508 Remote Similarity NPD6370 Approved
0.6484 Remote Similarity NPD7507 Approved
0.6457 Remote Similarity NPD7829 Approved
0.6457 Remote Similarity NPD7830 Approved
0.6434 Remote Similarity NPD7078 Approved
0.6434 Remote Similarity NPD8074 Phase 3
0.6406 Remote Similarity NPD7492 Approved
0.6404 Remote Similarity NPD4225 Approved
0.6396 Remote Similarity NPD5779 Approved
0.6396 Remote Similarity NPD5778 Approved
0.637 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6364 Remote Similarity NPD7838 Discovery
0.6357 Remote Similarity NPD8451 Approved
0.6357 Remote Similarity NPD6616 Approved
0.6349 Remote Similarity NPD6054 Approved
0.6308 Remote Similarity NPD8448 Approved
0.6308 Remote Similarity NPD8293 Discontinued
0.6299 Remote Similarity NPD6015 Approved
0.6299 Remote Similarity NPD6016 Approved
0.6299 Remote Similarity NPD7503 Approved
0.6296 Remote Similarity NPD4249 Approved
0.625 Remote Similarity NPD5988 Approved
0.624 Remote Similarity NPD7115 Discovery
0.6239 Remote Similarity NPD4250 Approved
0.6239 Remote Similarity NPD4251 Approved
0.6228 Remote Similarity NPD7839 Suspended
0.6226 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6226 Remote Similarity NPD5209 Approved
0.6218 Remote Similarity NPD6008 Approved
0.6216 Remote Similarity NPD5785 Approved
0.6207 Remote Similarity NPD6648 Approved
0.619 Remote Similarity NPD7641 Discontinued
0.6172 Remote Similarity NPD8444 Approved
0.6168 Remote Similarity NPD7154 Phase 3
0.6165 Remote Similarity NPD8391 Approved
0.6165 Remote Similarity NPD8392 Approved
0.6165 Remote Similarity NPD8390 Approved
0.6154 Remote Similarity NPD8342 Approved
0.6154 Remote Similarity NPD5344 Discontinued
0.6154 Remote Similarity NPD8341 Approved
0.6154 Remote Similarity NPD8340 Approved
0.6154 Remote Similarity NPD8299 Approved
0.6136 Remote Similarity NPD8336 Approved
0.6136 Remote Similarity NPD8337 Approved
0.6124 Remote Similarity NPD8080 Discontinued
0.6111 Remote Similarity NPD8137 Clinical (unspecified phase)
0.6094 Remote Similarity NPD6059 Approved
0.6077 Remote Similarity NPD8328 Phase 3
0.6074 Remote Similarity NPD8338 Approved
0.6055 Remote Similarity NPD5363 Approved
0.6033 Remote Similarity NPD6412 Phase 2
0.6033 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6 Remote Similarity NPD5786 Approved
0.5984 Remote Similarity NPD6009 Approved
0.5982 Remote Similarity NPD6101 Approved
0.5982 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5969 Remote Similarity NPD6319 Approved
0.5938 Remote Similarity NPD7327 Approved
0.5938 Remote Similarity NPD7328 Approved
0.5923 Remote Similarity NPD8274 Clinical (unspecified phase)
0.5923 Remote Similarity NPD8033 Approved
0.5923 Remote Similarity NPD8269 Approved
0.5923 Remote Similarity NPD8268 Approved
0.5923 Remote Similarity NPD8266 Approved
0.5923 Remote Similarity NPD8267 Approved
0.5891 Remote Similarity NPD7516 Approved
0.5887 Remote Similarity NPD5955 Clinical (unspecified phase)
0.5882 Remote Similarity NPD7260 Phase 2
0.5877 Remote Similarity NPD6411 Approved
0.5872 Remote Similarity NPD5362 Discontinued
0.5859 Remote Similarity NPD8295 Clinical (unspecified phase)
0.5854 Remote Similarity NPD5345 Clinical (unspecified phase)
0.5846 Remote Similarity NPD8377 Approved
0.5846 Remote Similarity NPD8294 Approved
0.5833 Remote Similarity NPD5369 Approved
0.5818 Remote Similarity NPD6400 Clinical (unspecified phase)
0.5806 Remote Similarity NPD4061 Clinical (unspecified phase)
0.5802 Remote Similarity NPD8379 Approved
0.5802 Remote Similarity NPD8378 Approved
0.5802 Remote Similarity NPD8296 Approved
0.5802 Remote Similarity NPD8335 Approved
0.5802 Remote Similarity NPD8380 Approved
0.5794 Remote Similarity NPD6882 Approved
0.578 Remote Similarity NPD4270 Approved
0.578 Remote Similarity NPD6435 Approved
0.578 Remote Similarity NPD4269 Approved
0.576 Remote Similarity NPD2067 Discontinued
0.5748 Remote Similarity NPD4632 Approved
0.5748 Remote Similarity NPD8133 Approved
0.5738 Remote Similarity NPD4056 Clinical (unspecified phase)
0.5738 Remote Similarity NPD4057 Clinical (unspecified phase)
0.5736 Remote Similarity NPD7500 Approved
0.5725 Remote Similarity NPD6845 Suspended
0.5714 Remote Similarity NPD7638 Approved
0.5693 Remote Similarity NPD5956 Approved
0.5669 Remote Similarity NPD8297 Approved
0.5667 Remote Similarity NPD7639 Approved
0.5667 Remote Similarity NPD7640 Approved
0.5662 Remote Similarity NPD6033 Approved
0.5645 Remote Similarity NPD5697 Approved
0.5636 Remote Similarity NPD4800 Clinical (unspecified phase)
0.5625 Remote Similarity NPD6082 Clinical (unspecified phase)
0.5603 Remote Similarity NPD7637 Suspended
0.56 Remote Similarity NPD6881 Approved
0.56 Remote Similarity NPD6899 Approved
0.56 Remote Similarity NPD2685 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   5281543
ChEMBL   CHEMBL463014
ZINC  

Physicochemical Properties

Molecular Weight:  290.08
ALogP:  -0.0975
MLogP:  2.45
XLogP:  0.877
# Rotatable Bonds:  4
Polar Surface Area:  71.06
# H-Bond Aceptor:  6
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  21

Download Data

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