Natural Product: NPC208170

Natural Product ID:  NPC208170
Common Name:   (1R,4S,7S,9As)-4-Furan-3-Yl-1,7-Dimethyl-Octahydro-Quinolizine
IUPAC Name:   (1R,4S,7S,9aS)-4-(furan-3-yl)-1,7-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
Synonyms:  
Molecular Formula:   C15H23NO
Standard InCHIKey:  VACYOTYBTLYIEB-NEBZKDRISA-N
Standard InCHI:  InChI=1S/C15H23NO/c1-11-3-5-14-12(2)4-6-15(16(14)9-11)13-7-8-17-10-13/h7-8,10-12,14-15H,3-6,9H2,1-2H3/t11-,12+,14-,15-/m0/s1
Canonical SMILES:  C[C@H]1CC[C@@H]2N(C1)[C@@H](CC[C@H]2C)c1ccoc1
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
NPO33085 nuphar pumilum Species Nymphaeaceae Eukaryota Rhizomes PMID[14643343]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT319 Cell Line B16 Mus musculus Inhibition = 14 % 25127165
NPT319 Cell Line B16 Mus musculus Inhibition = -5.1 % 25127165
NPT319 Cell Line B16 Mus musculus Inhibition = 19.1 % 25127165
NPT319 Cell Line B16 Mus musculus Inhibition = 28.5 % 22742761

  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 NPC208170 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 NPC216149
0.9348 High Similarity NPC223873
0.9333 High Similarity NPC26589
0.9333 High Similarity NPC473444
0.8269 Intermediate Similarity NPC176304
0.8269 Intermediate Similarity NPC473245
0.8269 Intermediate Similarity NPC70840
0.8113 Intermediate Similarity NPC469964
0.8113 Intermediate Similarity NPC476236
0.8113 Intermediate Similarity NPC472474
0.7914 Intermediate Similarity NPC289167
0.7914 Intermediate Similarity NPC186957
0.7914 Intermediate Similarity NPC76433
0.7818 Intermediate Similarity NPC297647
0.7673 Intermediate Similarity NPC471651
0.7613 Intermediate Similarity NPC471649
0.755 Intermediate Similarity NPC471647
0.755 Intermediate Similarity NPC471646
0.7481 Intermediate Similarity NPC150895
0.7319 Intermediate Similarity NPC243704
0.7296 Intermediate Similarity NPC133817
0.7296 Intermediate Similarity NPC476443
0.7246 Intermediate Similarity NPC208906
0.7246 Intermediate Similarity NPC144745
0.7226 Intermediate Similarity NPC28054
0.7183 Intermediate Similarity NPC16922
0.7174 Intermediate Similarity NPC45536
0.7162 Intermediate Similarity NPC266425
0.7153 Intermediate Similarity NPC74612
0.7113 Intermediate Similarity NPC317217
0.7113 Intermediate Similarity NPC477967
0.7083 Intermediate Similarity NPC179354
0.7059 Intermediate Similarity NPC105249
0.7048 Intermediate Similarity NPC471648
0.7034 Intermediate Similarity NPC46536
0.7034 Intermediate Similarity NPC138139
0.7034 Intermediate Similarity NPC23086
0.7021 Intermediate Similarity NPC473969
0.7014 Intermediate Similarity NPC477038
0.7014 Intermediate Similarity NPC477965
0.7014 Intermediate Similarity NPC65735
0.7014 Intermediate Similarity NPC188377
0.6993 Remote Similarity NPC471549
0.6993 Remote Similarity NPC26285
0.6993 Remote Similarity NPC473379
0.6986 Remote Similarity NPC83178
0.6978 Remote Similarity NPC205523
0.6971 Remote Similarity NPC45389
0.6966 Remote Similarity NPC473885
0.6966 Remote Similarity NPC471074
0.6963 Remote Similarity NPC473356
0.6963 Remote Similarity NPC471521
0.6939 Remote Similarity NPC477040
0.6939 Remote Similarity NPC477123
0.6939 Remote Similarity NPC477966
0.6939 Remote Similarity NPC476917
0.6939 Remote Similarity NPC477039
0.6939 Remote Similarity NPC327527
0.6939 Remote Similarity NPC207294
0.6939 Remote Similarity NPC112706
0.6913 Remote Similarity NPC477645
0.6912 Remote Similarity NPC177331
0.6901 Remote Similarity NPC137710
0.6897 Remote Similarity NPC243269
0.6897 Remote Similarity NPC118853
0.6892 Remote Similarity NPC59502
0.6879 Remote Similarity NPC131801
0.6879 Remote Similarity NPC217180
0.6879 Remote Similarity NPC312525
0.6879 Remote Similarity NPC212918
0.6849 Remote Similarity NPC471559
0.6849 Remote Similarity NPC71274
0.6849 Remote Similarity NPC75557
0.6849 Remote Similarity NPC474829
0.6846 Remote Similarity NPC476925
0.6806 Remote Similarity NPC79557
0.6803 Remote Similarity NPC81912
0.6803 Remote Similarity NPC329922
0.6803 Remote Similarity NPC474260
0.6803 Remote Similarity NPC329694
0.68 Remote Similarity NPC298190
0.68 Remote Similarity NPC89133
0.68 Remote Similarity NPC61788
0.6797 Remote Similarity NPC281104
0.6793 Remote Similarity NPC41216
0.6763 Remote Similarity NPC1811
0.6763 Remote Similarity NPC26157
0.6763 Remote Similarity NPC22678
0.6757 Remote Similarity NPC476016
0.6757 Remote Similarity NPC319140
0.6757 Remote Similarity NPC95567
0.6757 Remote Similarity NPC474830
0.6753 Remote Similarity NPC471316
0.675 Remote Similarity NPC214239
0.6724 Remote Similarity NPC27887
0.6723 Remote Similarity NPC471650
0.6713 Remote Similarity NPC206007
0.6712 Remote Similarity NPC476351
0.6711 Remote Similarity NPC218838
0.6711 Remote Similarity NPC470740
0.6711 Remote Similarity NPC471006
0.6711 Remote Similarity NPC474279
0.6711 Remote Similarity NPC474438
0.6703 Remote Similarity NPC112937
0.6691 Remote Similarity NPC42471
0.669 Remote Similarity NPC79202
0.669 Remote Similarity NPC115859
0.669 Remote Similarity NPC1848
0.669 Remote Similarity NPC59035
0.669 Remote Similarity NPC97566
0.6667 Remote Similarity NPC469978
0.6667 Remote Similarity NPC471652
0.6645 Remote Similarity NPC473344
0.6645 Remote Similarity NPC471544
0.6645 Remote Similarity NPC473982
0.6645 Remote Similarity NPC310830
0.6645 Remote Similarity NPC471817
0.6645 Remote Similarity NPC42400
0.6644 Remote Similarity NPC137570
0.6644 Remote Similarity NPC36255
0.6644 Remote Similarity NPC289911
0.6644 Remote Similarity NPC263870
0.6644 Remote Similarity NPC305717
0.6644 Remote Similarity NPC283284
0.6626 Remote Similarity NPC119669
0.6623 Remote Similarity NPC92941
0.6623 Remote Similarity NPC476947
0.6623 Remote Similarity NPC158525
0.6609 Remote Similarity NPC222524
0.6605 Remote Similarity NPC469540
0.6605 Remote Similarity NPC469539
0.6603 Remote Similarity NPC476943
0.6603 Remote Similarity NPC220094
0.6601 Remote Similarity NPC132308
0.6599 Remote Similarity NPC475818
0.6599 Remote Similarity NPC272899
0.6597 Remote Similarity NPC87466
0.6593 Remote Similarity NPC477258
0.6581 Remote Similarity NPC46896
0.6581 Remote Similarity NPC146872
0.6581 Remote Similarity NPC106606
0.6577 Remote Similarity NPC83301
0.6575 Remote Similarity NPC474136
0.6571 Remote Similarity NPC277525
0.6554 Remote Similarity NPC178382
0.6554 Remote Similarity NPC83115
0.6554 Remote Similarity NPC130275
0.655 Remote Similarity NPC284842
0.6538 Remote Similarity NPC470742
0.6538 Remote Similarity NPC307401
0.6536 Remote Similarity NPC169387
0.6536 Remote Similarity NPC477259
0.6533 Remote Similarity NPC290955
0.6533 Remote Similarity NPC141059
0.6533 Remote Similarity NPC246392
0.6533 Remote Similarity NPC473355
0.6533 Remote Similarity NPC471554
0.6533 Remote Similarity NPC471573
0.6533 Remote Similarity NPC471501
0.6528 Remote Similarity NPC227660
0.6522 Remote Similarity NPC140688
0.6516 Remote Similarity NPC196708
0.6513 Remote Similarity NPC21460
0.651 Remote Similarity NPC230979
0.651 Remote Similarity NPC303010
0.6509 Remote Similarity NPC153631
0.6507 Remote Similarity NPC246214
0.6507 Remote Similarity NPC474817
0.6503 Remote Similarity NPC470088
0.6503 Remote Similarity NPC174783
0.6497 Remote Similarity NPC236532
0.6494 Remote Similarity NPC474426
0.6494 Remote Similarity NPC474425
0.6494 Remote Similarity NPC474407
0.649 Remote Similarity NPC279877
0.649 Remote Similarity NPC26532
0.6483 Remote Similarity NPC21831
0.6483 Remote Similarity NPC187547
0.6477 Remote Similarity NPC327005
0.6471 Remote Similarity NPC17681
0.6467 Remote Similarity NPC470858
0.6461 Remote Similarity NPC473007
0.646 Remote Similarity NPC189908
0.6456 Remote Similarity NPC90953
0.6456 Remote Similarity NPC202260
0.6452 Remote Similarity NPC106247
0.645 Remote Similarity NPC26353
0.6447 Remote Similarity NPC208389
0.6447 Remote Similarity NPC283079
0.6443 Remote Similarity NPC285394
0.6438 Remote Similarity NPC4898
0.6437 Remote Similarity NPC67978
0.6437 Remote Similarity NPC303581
0.6434 Remote Similarity NPC252004
0.6433 Remote Similarity NPC35345
0.6433 Remote Similarity NPC170604
0.6433 Remote Similarity NPC215109
0.6429 Remote Similarity NPC473004
0.6429 Remote Similarity NPC97740
0.6429 Remote Similarity NPC471545

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC208170 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
0.7716 Intermediate Similarity NPD3050 Clinical (unspecified phase)
0.7517 Intermediate Similarity NPD3142 Approved
0.7517 Intermediate Similarity NPD3140 Approved
0.7176 Intermediate Similarity NPD4078 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD5616 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD5262 Discontinued
0.7025 Intermediate Similarity NPD1670 Discontinued
0.702 Intermediate Similarity NPD743 Approved
0.7 Intermediate Similarity NPD1337 Clinical (unspecified phase)
0.6994 Remote Similarity NPD4947 Clinical (unspecified phase)
0.6918 Remote Similarity NPD3639 Approved
0.6918 Remote Similarity NPD3640 Phase 3
0.6918 Remote Similarity NPD3641 Approved
0.6914 Remote Similarity NPD7577 Discontinued
0.6909 Remote Similarity NPD6862 Phase 2
0.6879 Remote Similarity NPD160 Clinical (unspecified phase)
0.6864 Remote Similarity NPD3446 Phase 1
0.6829 Remote Similarity NPD5977 Approved
0.6829 Remote Similarity NPD5978 Approved
0.681 Remote Similarity NPD7317 Phase 3
0.6797 Remote Similarity NPD2569 Approved
0.6797 Remote Similarity NPD2567 Approved
0.6766 Remote Similarity NPD3862 Approved
0.6766 Remote Similarity NPD3861 Approved
0.6747 Remote Similarity NPD8005 Clinical (unspecified phase)
0.6742 Remote Similarity NPD3808 Clinical (unspecified phase)
0.6727 Remote Similarity NPD7318 Phase 3
0.6724 Remote Similarity NPD7190 Clinical (unspecified phase)
0.6708 Remote Similarity NPD5586 Clinical (unspecified phase)
0.6688 Remote Similarity NPD5688 Approved
0.6688 Remote Similarity NPD5689 Approved
0.6685 Remote Similarity NPD5910 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2595 Approved
0.6667 Remote Similarity NPD2594 Approved
0.6647 Remote Similarity NPD1307 Phase 2
0.6647 Remote Similarity NPD1309 Phase 2
0.6623 Remote Similarity NPD6039 Approved
0.6609 Remote Similarity NPD6654 Clinical (unspecified phase)
0.6608 Remote Similarity NPD4575 Clinical (unspecified phase)
0.6606 Remote Similarity NPD6844 Discontinued
0.6605 Remote Similarity NPD3869 Phase 3
0.6605 Remote Similarity NPD3873 Phase 3
0.6595 Remote Similarity NPD6321 Discontinued
0.6587 Remote Similarity NPD5019 Clinical (unspecified phase)
0.6585 Remote Similarity NPD2592 Discontinued
0.6581 Remote Similarity NPD2200 Suspended
0.6577 Remote Similarity NPD4098 Discontinued
0.6575 Remote Similarity NPD4466 Phase 1
0.6558 Remote Similarity NPD4618 Approved
0.6558 Remote Similarity NPD4622 Approved
0.6556 Remote Similarity NPD5525 Clinical (unspecified phase)
0.6554 Remote Similarity NPD6021 Clinical (unspecified phase)
0.6545 Remote Similarity NPD5889 Approved
0.6545 Remote Similarity NPD4424 Discontinued
0.6545 Remote Similarity NPD6385 Approved
0.6545 Remote Similarity NPD6386 Approved
0.6545 Remote Similarity NPD5890 Approved
0.6541 Remote Similarity NPD6748 Discontinued
0.6536 Remote Similarity NPD4474 Approved
0.6536 Remote Similarity NPD4475 Approved
0.6536 Remote Similarity NPD7291 Discontinued
0.6536 Remote Similarity NPD6040 Clinical (unspecified phase)
0.6536 Remote Similarity NPD6608 Clinical (unspecified phase)
0.6533 Remote Similarity NPD2990 Approved
0.6533 Remote Similarity NPD2987 Approved
0.6532 Remote Similarity NPD5940 Clinical (unspecified phase)
0.6519 Remote Similarity NPD7045 Clinical (unspecified phase)
0.6512 Remote Similarity NPD3451 Clinical (unspecified phase)
0.6506 Remote Similarity NPD6280 Approved
0.6506 Remote Similarity NPD6279 Approved
0.6494 Remote Similarity NPD5312 Approved
0.6494 Remote Similarity NPD5313 Approved
0.6491 Remote Similarity NPD5186 Approved
0.6491 Remote Similarity NPD5183 Approved
0.6481 Remote Similarity NPD4662 Approved
0.6481 Remote Similarity NPD4661 Approved
0.6471 Remote Similarity NPD2041 Clinical (unspecified phase)
0.6471 Remote Similarity NPD2904 Discontinued
0.6471 Remote Similarity NPD2042 Clinical (unspecified phase)
0.6467 Remote Similarity NPD6668 Clinical (unspecified phase)
0.646 Remote Similarity NPD6884 Clinical (unspecified phase)
0.6457 Remote Similarity NPD5441 Clinical (unspecified phase)
0.6456 Remote Similarity NPD3656 Approved
0.6455 Remote Similarity NPD8161 Suspended
0.6446 Remote Similarity NPD4773 Phase 2
0.6446 Remote Similarity NPD4772 Phase 2
0.6443 Remote Similarity NPD5157 Phase 1
0.6443 Remote Similarity NPD5159 Phase 2
0.6443 Remote Similarity NPD5158 Clinical (unspecified phase)
0.6437 Remote Similarity NPD5603 Clinical (unspecified phase)
0.6433 Remote Similarity NPD2247 Approved
0.6433 Remote Similarity NPD2249 Approved
0.6429 Remote Similarity NPD7713 Phase 3
0.6419 Remote Similarity NPD518 Clinical (unspecified phase)
0.6402 Remote Similarity NPD7427 Discontinued
0.64 Remote Similarity NPD4503 Phase 2
0.64 Remote Similarity NPD7258 Clinical (unspecified phase)
0.6389 Remote Similarity NPD3863 Clinical (unspecified phase)
0.6386 Remote Similarity NPD6585 Discontinued
0.6384 Remote Similarity NPD1298 Discontinued
0.6378 Remote Similarity NPD5564 Approved
0.6375 Remote Similarity NPD2654 Approved
0.637 Remote Similarity NPD2486 Discontinued
0.6369 Remote Similarity NPD6618 Phase 2
0.6364 Remote Similarity NPD1241 Discontinued
0.6364 Remote Similarity NPD4107 Approved
0.6351 Remote Similarity NPD3294 Phase 2
0.6348 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6343 Remote Similarity NPD7893 Clinical (unspecified phase)
0.6337 Remote Similarity NPD6107 Approved
0.6333 Remote Similarity NPD1421 Approved
0.6333 Remote Similarity NPD1420 Approved
0.633 Remote Similarity NPD4482 Phase 3
0.6328 Remote Similarity NPD6293 Clinical (unspecified phase)
0.6327 Remote Similarity NPD6382 Discontinued
0.6325 Remote Similarity NPD2651 Approved
0.6325 Remote Similarity NPD2649 Approved
0.6325 Remote Similarity NPD824 Approved
0.6319 Remote Similarity NPD7598 Phase 2
0.6312 Remote Similarity NPD7596 Clinical (unspecified phase)
0.631 Remote Similarity NPD7811 Phase 3
0.631 Remote Similarity NPD7810 Phase 3
0.6309 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6306 Remote Similarity NPD1654 Clinical (unspecified phase)
0.6301 Remote Similarity NPD4166 Phase 2
0.6299 Remote Similarity NPD5746 Approved
0.6296 Remote Similarity NPD3533 Approved
0.6296 Remote Similarity NPD3448 Approved
0.6296 Remote Similarity NPD3057 Approved
0.6296 Remote Similarity NPD7626 Approved
0.6296 Remote Similarity NPD2491 Approved
0.6296 Remote Similarity NPD2972 Approved
0.6296 Remote Similarity NPD7627 Approved
0.6296 Remote Similarity NPD3295 Clinical (unspecified phase)
0.6292 Remote Similarity NPD5192 Clinical (unspecified phase)
0.6289 Remote Similarity NPD3156 Discontinued
0.6283 Remote Similarity NPD7607 Clinical (unspecified phase)
0.628 Remote Similarity NPD4584 Approved
0.6276 Remote Similarity NPD5293 Phase 2
0.6273 Remote Similarity NPD44 Approved
0.6273 Remote Similarity NPD6364 Approved
0.6264 Remote Similarity NPD5242 Approved
0.6257 Remote Similarity NPD6533 Clinical (unspecified phase)
0.625 Remote Similarity NPD2343 Clinical (unspecified phase)
0.625 Remote Similarity NPD6873 Phase 2
0.6243 Remote Similarity NPD3154 Approved
0.6243 Remote Similarity NPD2680 Approved
0.6243 Remote Similarity NPD3153 Approved
0.6243 Remote Similarity NPD2681 Approved
0.6236 Remote Similarity NPD3823 Discontinued
0.6235 Remote Similarity NPD5967 Approved
0.6233 Remote Similarity NPD3596 Phase 2
0.6229 Remote Similarity NPD2248 Approved
0.6229 Remote Similarity NPD6894 Phase 1
0.6229 Remote Similarity NPD2246 Approved
0.6228 Remote Similarity NPD6357 Discontinued
0.6226 Remote Similarity NPD3693 Clinical (unspecified phase)
0.6224 Remote Similarity NPD4571 Approved
0.6224 Remote Similarity NPD4572 Approved
0.6224 Remote Similarity NPD4573 Approved
0.6223 Remote Similarity NPD1880 Phase 3
0.6223 Remote Similarity NPD6874 Approved
0.622 Remote Similarity NPD3124 Discontinued
0.6218 Remote Similarity NPD5745 Approved
0.6216 Remote Similarity NPD3049 Approved
0.6213 Remote Similarity NPD5355 Approved
0.6213 Remote Similarity NPD5356 Approved
0.6211 Remote Similarity NPD4664 Clinical (unspecified phase)
0.6209 Remote Similarity NPD7018 Phase 2
0.6207 Remote Similarity NPD593 Approved
0.6207 Remote Similarity NPD6808 Phase 2
0.6207 Remote Similarity NPD595 Approved
0.6205 Remote Similarity NPD3613 Discontinued
0.6205 Remote Similarity NPD7131 Phase 3
0.6205 Remote Similarity NPD5676 Approved
0.6194 Remote Similarity NPD5163 Phase 2
0.6188 Remote Similarity NPD4477 Approved
0.6188 Remote Similarity NPD2240 Approved
0.6188 Remote Similarity NPD2239 Approved
0.6188 Remote Similarity NPD4476 Approved
0.6184 Remote Similarity NPD2198 Approved
0.6184 Remote Similarity NPD2199 Approved
0.6182 Remote Similarity NPD2335 Discontinued
0.6182 Remote Similarity NPD1754 Clinical (unspecified phase)
0.6178 Remote Similarity NPD3373 Approved
0.6175 Remote Similarity NPD7693 Approved
0.6174 Remote Similarity NPD2667 Approved
0.6174 Remote Similarity NPD2556 Approved
0.6174 Remote Similarity NPD2668 Approved
0.6174 Remote Similarity NPD2554 Approved
0.6173 Remote Similarity NPD2976 Clinical (unspecified phase)
0.6171 Remote Similarity NPD2388 Discontinued
0.617 Remote Similarity NPD4420 Approved
0.6167 Remote Similarity NPD7132 Clinical (unspecified phase)
0.6164 Remote Similarity NPD2557 Approved
0.6158 Remote Similarity NPD2163 Approved
0.6154 Remote Similarity NPD3374 Clinical (unspecified phase)
0.6154 Remote Similarity NPD5914 Approved
0.6154 Remote Similarity NPD7193 Clinical (unspecified phase)
0.6149 Remote Similarity NPD7702 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   442525
ChEMBL   CHEMBL140758
ZINC  

Physicochemical Properties

Molecular Weight:  233.18
ALogP:  -0.0281
MLogP:  2.89
XLogP:  2.956
# Rotatable Bonds:  3
Polar Surface Area:  16.38
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  17

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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