Natural Product: NPC150895

Natural Product ID:  NPC150895
Common Name:   Microcionin-4
IUPAC Name:   3-[2-[(1R,2R)-1,2-dimethyl-6-methylidenecyclohexyl]ethyl]furan
Synonyms:   Microcionin-4
Molecular Formula:   C15H22O
Standard InCHIKey:  VFZHDBFYTSLCHG-HIFRSBDPSA-N
Standard InCHI:  InChI=1S/C15H22O/c1-12-5-4-6-13(2)15(12,3)9-7-14-8-10-16-11-14/h8,10-11,13H,1,4-7,9H2,2-3H3/t13-,15+/m1/s1
Canonical SMILES:  C[C@@H]1CCCC(=C)[C@]1(C)CCc1cocc1
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
NPO12901 Dysidea septosa Species Dysideidae Eukaryota Hainan Province, China PMID[18627201]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT178 Individual Protein Protein-tyrosine phosphatase 1B Homo sapiens IC50 = 6.8 ug/ml 24547794

  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 NPC150895 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
0.9304 High Similarity NPC16922
0.9145 High Similarity NPC179354
0.9068 High Similarity NPC46536
0.9068 High Similarity NPC23086
0.9068 High Similarity NPC138139
0.9068 High Similarity NPC74612
0.9052 High Similarity NPC317217
0.9052 High Similarity NPC477967
0.9035 High Similarity NPC243704
0.8983 High Similarity NPC473885
0.8983 High Similarity NPC471074
0.8947 High Similarity NPC212918
0.8917 High Similarity NPC207294
0.8917 High Similarity NPC477966
0.8917 High Similarity NPC327527
0.8917 High Similarity NPC112706
0.8917 High Similarity NPC476917
0.8917 High Similarity NPC477123
0.8917 High Similarity NPC477040
0.8898 High Similarity NPC477965
0.8898 High Similarity NPC477038
0.8843 High Similarity NPC59502
0.8833 High Similarity NPC83178
0.8803 High Similarity NPC97566
0.877 High Similarity NPC476925
0.876 High Similarity NPC477039
0.8739 High Similarity NPC243269
0.8699 High Similarity NPC61788
0.8699 High Similarity NPC89133
0.8621 High Similarity NPC144745
0.8621 High Similarity NPC208906
0.8609 High Similarity NPC28054
0.8571 High Similarity NPC36255
0.856 High Similarity NPC218838
0.856 High Similarity NPC471006
0.8548 High Similarity NPC298190
0.8534 High Similarity NPC45536
0.8525 High Similarity NPC95567
0.8525 High Similarity NPC319140
0.85 High Similarity NPC272899
0.848 Intermediate Similarity NPC471817
0.8475 Intermediate Similarity NPC137710
0.843 Intermediate Similarity NPC130275
0.843 Intermediate Similarity NPC188377
0.843 Intermediate Similarity NPC178382
0.843 Intermediate Similarity NPC65735
0.843 Intermediate Similarity NPC83115
0.843 Intermediate Similarity NPC118853
0.8425 Intermediate Similarity NPC476947
0.8425 Intermediate Similarity NPC158525
0.8421 Intermediate Similarity NPC105249
0.8421 Intermediate Similarity NPC277525
0.839 Intermediate Similarity NPC87466
0.8376 Intermediate Similarity NPC79202
0.8376 Intermediate Similarity NPC59035
0.8374 Intermediate Similarity NPC290955
0.8374 Intermediate Similarity NPC246392
0.8361 Intermediate Similarity NPC303010
0.8361 Intermediate Similarity NPC230979
0.8359 Intermediate Similarity NPC46896
0.8359 Intermediate Similarity NPC146872
0.8333 Intermediate Similarity NPC473982
0.8319 Intermediate Similarity NPC473969
0.8319 Intermediate Similarity NPC471521
0.8319 Intermediate Similarity NPC473356
0.8306 Intermediate Similarity NPC329707
0.8306 Intermediate Similarity NPC26532
0.8295 Intermediate Similarity NPC307401
0.8295 Intermediate Similarity NPC310830
0.8295 Intermediate Similarity NPC42400
0.8291 Intermediate Similarity NPC205523
0.8281 Intermediate Similarity NPC92941
0.8268 Intermediate Similarity NPC470740
0.8246 Intermediate Similarity NPC177331
0.824 Intermediate Similarity NPC208389
0.8231 Intermediate Similarity NPC476943
0.819 Intermediate Similarity NPC22678
0.8182 Intermediate Similarity NPC79557
0.8175 Intermediate Similarity NPC21460
0.8168 Intermediate Similarity NPC202260
0.8168 Intermediate Similarity NPC90953
0.816 Intermediate Similarity NPC279877
0.8154 Intermediate Similarity NPC470742
0.8151 Intermediate Similarity NPC131801
0.8151 Intermediate Similarity NPC217180
0.8151 Intermediate Similarity NPC312525
0.8125 Intermediate Similarity NPC293253
0.8115 Intermediate Similarity NPC471549
0.8115 Intermediate Similarity NPC473379
0.8106 Intermediate Similarity NPC56197
0.8106 Intermediate Similarity NPC67003
0.8095 Intermediate Similarity NPC120836
0.8095 Intermediate Similarity NPC223063
0.8095 Intermediate Similarity NPC198904
0.8092 Intermediate Similarity NPC220094
0.8092 Intermediate Similarity NPC472376
0.8092 Intermediate Similarity NPC236532
0.8083 Intermediate Similarity NPC206007
0.808 Intermediate Similarity NPC476016
0.8065 Intermediate Similarity NPC300098
0.8065 Intermediate Similarity NPC71274
0.8065 Intermediate Similarity NPC290193
0.8065 Intermediate Similarity NPC75557
0.8065 Intermediate Similarity NPC474829
0.8045 Intermediate Similarity NPC205765
0.8034 Intermediate Similarity NPC1811
0.8034 Intermediate Similarity NPC26157
0.8033 Intermediate Similarity NPC115859
0.8016 Intermediate Similarity NPC474279
0.8016 Intermediate Similarity NPC474438
0.8015 Intermediate Similarity NPC215109
0.8015 Intermediate Similarity NPC170604
0.8 Intermediate Similarity NPC329922
0.8 Intermediate Similarity NPC329694
0.8 Intermediate Similarity NPC83301
0.8 Intermediate Similarity NPC474260
0.8 Intermediate Similarity NPC209858
0.8 Intermediate Similarity NPC81912
0.7985 Intermediate Similarity NPC473152
0.7985 Intermediate Similarity NPC263337
0.7985 Intermediate Similarity NPC52412
0.7985 Intermediate Similarity NPC121158
0.7982 Intermediate Similarity NPC42471
0.797 Intermediate Similarity NPC90296
0.797 Intermediate Similarity NPC148374
0.7969 Intermediate Similarity NPC477645
0.7937 Intermediate Similarity NPC141059
0.7937 Intermediate Similarity NPC474830
0.7926 Intermediate Similarity NPC243577
0.7926 Intermediate Similarity NPC476946
0.7926 Intermediate Similarity NPC267632
0.7926 Intermediate Similarity NPC223415
0.792 Intermediate Similarity NPC471559
0.791 Intermediate Similarity NPC20500
0.7907 Intermediate Similarity NPC471995
0.7903 Intermediate Similarity NPC476351
0.7886 Intermediate Similarity NPC1848
0.7879 Intermediate Similarity NPC186626
0.7868 Intermediate Similarity NPC476944
0.7868 Intermediate Similarity NPC251865
0.7868 Intermediate Similarity NPC142113
0.7868 Intermediate Similarity NPC238843
0.7868 Intermediate Similarity NPC199044
0.7863 Intermediate Similarity NPC324117
0.7857 Intermediate Similarity NPC470858
0.7851 Intermediate Similarity NPC227660
0.7846 Intermediate Similarity NPC474407
0.7846 Intermediate Similarity NPC474425
0.7846 Intermediate Similarity NPC474426
0.7836 Intermediate Similarity NPC473983
0.7836 Intermediate Similarity NPC201370
0.7823 Intermediate Similarity NPC263870
0.7823 Intermediate Similarity NPC289911
0.7823 Intermediate Similarity NPC283284
0.782 Intermediate Similarity NPC177262
0.781 Intermediate Similarity NPC5676
0.781 Intermediate Similarity NPC185456
0.7805 Intermediate Similarity NPC246214
0.7795 Intermediate Similarity NPC137570
0.7794 Intermediate Similarity NPC470741
0.7786 Intermediate Similarity NPC106247
0.7786 Intermediate Similarity NPC471998
0.7769 Intermediate Similarity NPC471544
0.7769 Intermediate Similarity NPC473344
0.7761 Intermediate Similarity NPC233707
0.776 Intermediate Similarity NPC475818
0.7759 Intermediate Similarity NPC140688
0.7754 Intermediate Similarity NPC346
0.7754 Intermediate Similarity NPC262198
0.7754 Intermediate Similarity NPC471292
0.7754 Intermediate Similarity NPC470999
0.7754 Intermediate Similarity NPC276676
0.775 Intermediate Similarity NPC252004
0.7742 Intermediate Similarity NPC474136
0.7698 Intermediate Similarity NPC10088
0.7698 Intermediate Similarity NPC221809
0.7698 Intermediate Similarity NPC11799
0.7698 Intermediate Similarity NPC250228
0.7698 Intermediate Similarity NPC476938
0.7698 Intermediate Similarity NPC470941
0.7698 Intermediate Similarity NPC255414
0.7698 Intermediate Similarity NPC471174
0.7698 Intermediate Similarity NPC302987
0.7698 Intermediate Similarity NPC476937
0.7698 Intermediate Similarity NPC141252
0.7698 Intermediate Similarity NPC71821
0.7698 Intermediate Similarity NPC216755
0.7692 Intermediate Similarity NPC475092
0.7681 Intermediate Similarity NPC290038
0.7681 Intermediate Similarity NPC34056
0.7681 Intermediate Similarity NPC56731
0.7674 Intermediate Similarity NPC50583
0.7669 Intermediate Similarity NPC214572
0.7664 Intermediate Similarity NPC80635
0.7661 Intermediate Similarity NPC474817
0.7656 Intermediate Similarity NPC471501
0.7656 Intermediate Similarity NPC471554
0.7656 Intermediate Similarity NPC473355
0.7656 Intermediate Similarity NPC471573
0.7647 Intermediate Similarity NPC54626

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC150895 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
0.7521 Intermediate Similarity NPD1241 Discontinued
0.75 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7364 Intermediate Similarity NPD1876 Approved
0.7344 Intermediate Similarity NPD3972 Approved
0.7329 Intermediate Similarity NPD5761 Phase 2
0.7329 Intermediate Similarity NPD5760 Phase 2
0.7266 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7131 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7122 Intermediate Similarity NPD1471 Phase 3
0.7083 Intermediate Similarity NPD6273 Approved
0.7047 Intermediate Similarity NPD5616 Clinical (unspecified phase)
0.7031 Intermediate Similarity NPD5585 Approved
0.7015 Intermediate Similarity NPD6832 Phase 2
0.7 Intermediate Similarity NPD2344 Approved
0.6992 Remote Similarity NPD2798 Approved
0.6977 Remote Similarity NPD17 Approved
0.6977 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6972 Remote Similarity NPD4628 Phase 3
0.6917 Remote Similarity NPD1049 Clinical (unspecified phase)
0.6875 Remote Similarity NPD643 Clinical (unspecified phase)
0.6866 Remote Similarity NPD1019 Discontinued
0.6861 Remote Similarity NPD8032 Phase 2
0.6857 Remote Similarity NPD2799 Discontinued
0.6829 Remote Similarity NPD2182 Approved
0.6818 Remote Similarity NPD1608 Approved
0.6818 Remote Similarity NPD9717 Approved
0.6812 Remote Similarity NPD3142 Approved
0.6812 Remote Similarity NPD3140 Approved
0.6809 Remote Similarity NPD2796 Approved
0.6806 Remote Similarity NPD2309 Approved
0.6803 Remote Similarity NPD920 Approved
0.6803 Remote Similarity NPD3134 Approved
0.6791 Remote Similarity NPD2797 Approved
0.6781 Remote Similarity NPD642 Clinical (unspecified phase)
0.6769 Remote Similarity NPD1651 Approved
0.6767 Remote Similarity NPD4359 Approved
0.6742 Remote Similarity NPD1281 Approved
0.6736 Remote Similarity NPD7003 Approved
0.6719 Remote Similarity NPD7157 Approved
0.6718 Remote Similarity NPD1778 Approved
0.6691 Remote Similarity NPD4307 Phase 2
0.6691 Remote Similarity NPD9494 Approved
0.6689 Remote Similarity NPD3869 Phase 3
0.6689 Remote Similarity NPD6280 Approved
0.6689 Remote Similarity NPD6279 Approved
0.6689 Remote Similarity NPD3873 Phase 3
0.6667 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3266 Approved
0.6667 Remote Similarity NPD3267 Approved
0.6667 Remote Similarity NPD1243 Approved
0.6643 Remote Similarity NPD6355 Discontinued
0.6643 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6642 Remote Similarity NPD5327 Phase 3
0.6641 Remote Similarity NPD5691 Approved
0.6639 Remote Similarity NPD164 Approved
0.662 Remote Similarity NPD3748 Approved
0.6613 Remote Similarity NPD1358 Approved
0.6593 Remote Similarity NPD1283 Approved
0.6583 Remote Similarity NPD1238 Approved
0.6573 Remote Similarity NPD1551 Phase 2
0.6571 Remote Similarity NPD2979 Phase 3
0.6565 Remote Similarity NPD9545 Approved
0.656 Remote Similarity NPD2684 Approved
0.6552 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6547 Remote Similarity NPD2313 Discontinued
0.6547 Remote Similarity NPD3268 Approved
0.6544 Remote Similarity NPD1203 Approved
0.6543 Remote Similarity NPD6764 Approved
0.6543 Remote Similarity NPD6765 Approved
0.6541 Remote Similarity NPD3496 Discontinued
0.6528 Remote Similarity NPD2346 Discontinued
0.6525 Remote Similarity NPD4618 Approved
0.6525 Remote Similarity NPD4622 Approved
0.6507 Remote Similarity NPD4110 Phase 3
0.6507 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6503 Remote Similarity NPD4308 Phase 3
0.65 Remote Similarity NPD4870 Approved
0.649 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6475 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6474 Remote Similarity NPD919 Approved
0.6474 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6463 Remote Similarity NPD3887 Approved
0.6458 Remote Similarity NPD4477 Approved
0.6458 Remote Similarity NPD4476 Approved
0.6454 Remote Similarity NPD4140 Approved
0.6452 Remote Similarity NPD9697 Approved
0.6447 Remote Similarity NPD6599 Discontinued
0.6446 Remote Similarity NPD8434 Phase 2
0.6439 Remote Similarity NPD1894 Discontinued
0.6434 Remote Similarity NPD5688 Approved
0.6434 Remote Similarity NPD5689 Approved
0.6429 Remote Similarity NPD411 Approved
0.6429 Remote Similarity NPD3764 Approved
0.6418 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6414 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6414 Remote Similarity NPD6004 Phase 3
0.6414 Remote Similarity NPD6005 Phase 3
0.6414 Remote Similarity NPD6002 Phase 3
0.6414 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6412 Remote Similarity NPD9493 Approved
0.6408 Remote Similarity NPD1933 Approved
0.6408 Remote Similarity NPD447 Suspended
0.6395 Remote Similarity NPD3750 Approved
0.6395 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6392 Remote Similarity NPD1247 Approved
0.6391 Remote Similarity NPD3444 Approved
0.6391 Remote Similarity NPD3445 Approved
0.6391 Remote Similarity NPD3443 Approved
0.6386 Remote Similarity NPD6785 Approved
0.6386 Remote Similarity NPD6784 Approved
0.6382 Remote Similarity NPD2649 Approved
0.6382 Remote Similarity NPD7458 Discontinued
0.6382 Remote Similarity NPD2651 Approved
0.6377 Remote Similarity NPD5647 Approved
0.637 Remote Similarity NPD2897 Discontinued
0.637 Remote Similarity NPD1549 Phase 2
0.637 Remote Similarity NPD4534 Discontinued
0.6364 Remote Similarity NPD9092 Discovery
0.6358 Remote Similarity NPD3050 Clinical (unspecified phase)
0.6357 Remote Similarity NPD7843 Approved
0.6357 Remote Similarity NPD5535 Approved
0.6352 Remote Similarity NPD6808 Phase 2
0.6346 Remote Similarity NPD4947 Clinical (unspecified phase)
0.6345 Remote Similarity NPD2935 Discontinued
0.6345 Remote Similarity NPD2438 Suspended
0.6345 Remote Similarity NPD6100 Approved
0.6345 Remote Similarity NPD6099 Approved
0.6345 Remote Similarity NPD2531 Phase 2
0.6343 Remote Similarity NPD4626 Approved
0.6338 Remote Similarity NPD1240 Approved
0.6333 Remote Similarity NPD4662 Approved
0.6333 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6333 Remote Similarity NPD4661 Approved
0.6331 Remote Similarity NPD1712 Approved
0.6329 Remote Similarity NPD5494 Approved
0.6323 Remote Similarity NPD7819 Suspended
0.6312 Remote Similarity NPD6798 Discontinued
0.6304 Remote Similarity NPD6362 Approved
0.6301 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6301 Remote Similarity NPD2353 Approved
0.6301 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6301 Remote Similarity NPD2355 Clinical (unspecified phase)
0.6282 Remote Similarity NPD2296 Approved
0.6276 Remote Similarity NPD1510 Phase 2
0.6273 Remote Similarity NPD4575 Clinical (unspecified phase)
0.6267 Remote Similarity NPD6799 Approved
0.626 Remote Similarity NPD690 Clinical (unspecified phase)
0.6259 Remote Similarity NPD970 Clinical (unspecified phase)
0.6259 Remote Similarity NPD5958 Discontinued
0.6258 Remote Similarity NPD7577 Discontinued
0.625 Remote Similarity NPD5586 Clinical (unspecified phase)
0.625 Remote Similarity NPD1607 Approved
0.625 Remote Similarity NPD5668 Clinical (unspecified phase)
0.625 Remote Similarity NPD6653 Approved
0.625 Remote Similarity NPD6287 Discontinued
0.6241 Remote Similarity NPD7095 Approved
0.6241 Remote Similarity NPD5536 Phase 2
0.6231 Remote Similarity NPD821 Approved
0.6225 Remote Similarity NPD4378 Clinical (unspecified phase)
0.622 Remote Similarity NPD290 Approved
0.6216 Remote Similarity NPD2800 Approved
0.6214 Remote Similarity NPD454 Approved
0.6212 Remote Similarity NPD2557 Approved
0.6211 Remote Similarity NPD3926 Phase 2
0.6204 Remote Similarity NPD1481 Phase 2
0.6203 Remote Similarity NPD3749 Approved
0.62 Remote Similarity NPD7440 Discontinued
0.6197 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6196 Remote Similarity NPD7893 Clinical (unspecified phase)
0.6194 Remote Similarity NPD6873 Phase 2
0.6188 Remote Similarity NPD8127 Discontinued
0.6183 Remote Similarity NPD5283 Phase 1
0.6181 Remote Similarity NPD5735 Approved
0.6178 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6172 Remote Similarity NPD6831 Clinical (unspecified phase)
0.617 Remote Similarity NPD2614 Approved
0.6169 Remote Similarity NPD3226 Approved
0.6165 Remote Similarity NPD3596 Phase 2
0.6154 Remote Similarity NPD6233 Phase 2
0.6154 Remote Similarity NPD4062 Phase 3
0.6148 Remote Similarity NPD3024 Approved
0.6148 Remote Similarity NPD4196 Clinical (unspecified phase)
0.6148 Remote Similarity NPD3025 Approved
0.6145 Remote Similarity NPD3658 Clinical (unspecified phase)
0.6145 Remote Similarity NPD6559 Discontinued
0.6144 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6142 Remote Similarity NPD968 Approved
0.6139 Remote Similarity NPD3882 Suspended
0.6139 Remote Similarity NPD7768 Phase 2
0.6138 Remote Similarity NPD6353 Approved
0.6136 Remote Similarity NPD5951 Approved
0.6133 Remote Similarity NPD3295 Clinical (unspecified phase)
0.6133 Remote Similarity NPD2354 Approved
0.6131 Remote Similarity NPD1535 Discovery
0.6131 Remote Similarity NPD1611 Approved
0.6129 Remote Similarity NPD7028 Phase 2
0.6127 Remote Similarity NPD7008 Discontinued
0.6125 Remote Similarity NPD710 Clinical (unspecified phase)
0.6124 Remote Similarity NPD2067 Discontinued
0.6118 Remote Similarity NPD2532 Approved

Structure

External Identifiers

PubChem CID   21778335
ChEMBL   CHEMBL469255
ZINC  

Physicochemical Properties

Molecular Weight:  218.17
ALogP:  0.9182
MLogP:  3
XLogP:  5.219
# Rotatable Bonds:  5
Polar Surface Area:  13.14
# H-Bond Aceptor:  0
# H-Bond Donor:  0
# Rings:  2
# Heavy Atoms:  16

Download Data

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