Natural Product: NPC280903

Natural Product ID:  NPC280903
Common Name:   Yuzurimine
IUPAC Name:  
Synonyms:   Yuzurimine
Molecular Formula:   C27H37NO7
Standard InCHIKey:  PCARXYHNISKVGD-NSDVBFOASA-N
Standard InCHI:  InChI=1S/C27H37NO7/c1-14-11-28-12-18-7-5-17-6-8-19-20(24(31)33-4)10-26(23(17)19)25(18,13-34-15(2)29)22(35-16(3)30)9-21(14)27(26,28)32/h14,18-22,32H,5-13H2,1-4H3/t14-,18-,19-,20-,21-,22-,25-,26-,27-/m1/s1
Canonical SMILES:  COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@H]14)CC[C@H]1[C@]2(COC(=O)C)[C@H](OC(=O)C)C[C@H]2[C@]3(O)N(C1)C[C@H]2C
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
NPO25184 Daphniphyllum macropodum Species Daphniphyllaceae Eukaryota leaves and stems Sichuan Province, China 2010-OCT PMID[22642560]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT116 Cell Line HL-60 Homo sapiens IC50 > 40000 nM 6827534
NPT176 Organism Artemia salina Artemia salina Activity = 70.78 % PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens IC50 > 40000 nM 11858751
NPT660 Cell Line SW480 Homo sapiens IC50 > 40000 nM 18281952
NPT81 Cell Line A549 Homo sapiens IC50 > 40000 nM 2342057
NPT659 Cell Line SMMC-7721 Homo sapiens IC50 > 40000 nM 10.1007/s00044-012-0184-x

  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 NPC280903 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
0.9829 High Similarity NPC470537
0.8974 High Similarity NPC470538
0.8361 Intermediate Similarity NPC476952
0.808 Intermediate Similarity NPC88190
0.7846 Intermediate Similarity NPC476951
0.7594 Intermediate Similarity NPC470539
0.7581 Intermediate Similarity NPC470534
0.754 Intermediate Similarity NPC470540
0.736 Intermediate Similarity NPC470532
0.736 Intermediate Similarity NPC470531
0.736 Intermediate Similarity NPC470528
0.736 Intermediate Similarity NPC470533
0.736 Intermediate Similarity NPC470529
0.736 Intermediate Similarity NPC470530
0.736 Intermediate Similarity NPC470527
0.7259 Intermediate Similarity NPC212106
0.7231 Intermediate Similarity NPC96731
0.7131 Intermediate Similarity NPC474348
0.7068 Intermediate Similarity NPC476504
0.7008 Intermediate Similarity NPC470536
0.7007 Intermediate Similarity NPC476957
0.694 Remote Similarity NPC238323
0.6929 Remote Similarity NPC470535
0.6912 Remote Similarity NPC476503
0.6838 Remote Similarity NPC473477
0.68 Remote Similarity NPC194750
0.68 Remote Similarity NPC287638
0.68 Remote Similarity NPC233274
0.6791 Remote Similarity NPC35037
0.6772 Remote Similarity NPC86906
0.6746 Remote Similarity NPC97336
0.6742 Remote Similarity NPC476499
0.6719 Remote Similarity NPC46981
0.6716 Remote Similarity NPC471109
0.6693 Remote Similarity NPC475239
0.6643 Remote Similarity NPC477072
0.662 Remote Similarity NPC189393
0.662 Remote Similarity NPC90814
0.6617 Remote Similarity NPC135431
0.6614 Remote Similarity NPC140723
0.6593 Remote Similarity NPC476956
0.6591 Remote Similarity NPC476498
0.6589 Remote Similarity NPC59530
0.6567 Remote Similarity NPC209252
0.6565 Remote Similarity NPC473232
0.6562 Remote Similarity NPC212874
0.6549 Remote Similarity NPC478139
0.6538 Remote Similarity NPC469845
0.6515 Remote Similarity NPC79238
0.6504 Remote Similarity NPC240617
0.6493 Remote Similarity NPC123117
0.6489 Remote Similarity NPC274895
0.6484 Remote Similarity NPC265094
0.6444 Remote Similarity NPC476502
0.6439 Remote Similarity NPC475463
0.6439 Remote Similarity NPC287764
0.6439 Remote Similarity NPC63511
0.6438 Remote Similarity NPC474210
0.6438 Remote Similarity NPC243902
0.6434 Remote Similarity NPC119329
0.6434 Remote Similarity NPC471293
0.6418 Remote Similarity NPC478137
0.64 Remote Similarity NPC471822
0.64 Remote Similarity NPC42042
0.64 Remote Similarity NPC289140
0.6393 Remote Similarity NPC20388
0.6389 Remote Similarity NPC139585
0.6385 Remote Similarity NPC472655
0.6385 Remote Similarity NPC233256
0.6385 Remote Similarity NPC195841
0.6385 Remote Similarity NPC231530
0.6385 Remote Similarity NPC252234
0.6385 Remote Similarity NPC471844
0.6385 Remote Similarity NPC278628
0.6383 Remote Similarity NPC474371
0.6364 Remote Similarity NPC309249
0.635 Remote Similarity NPC9714
0.6349 Remote Similarity NPC253586
0.6345 Remote Similarity NPC476111
0.6343 Remote Similarity NPC234042
0.6343 Remote Similarity NPC152117
0.6331 Remote Similarity NPC242692
0.6328 Remote Similarity NPC39683
0.6324 Remote Similarity NPC138372
0.6324 Remote Similarity NPC106228
0.632 Remote Similarity NPC48330
0.6316 Remote Similarity NPC5284
0.6316 Remote Similarity NPC48305
0.6316 Remote Similarity NPC250956
0.6316 Remote Similarity NPC272898
0.6316 Remote Similarity NPC470065
0.6316 Remote Similarity NPC473036
0.6316 Remote Similarity NPC474923
0.6308 Remote Similarity NPC96268
0.6304 Remote Similarity NPC469380
0.6299 Remote Similarity NPC119036
0.6299 Remote Similarity NPC474793
0.6296 Remote Similarity NPC106479
0.6296 Remote Similarity NPC52634
0.6296 Remote Similarity NPC477963
0.6294 Remote Similarity NPC173173
0.6288 Remote Similarity NPC258323
0.6288 Remote Similarity NPC94529
0.6286 Remote Similarity NPC472458
0.6281 Remote Similarity NPC167877
0.6279 Remote Similarity NPC473788
0.6279 Remote Similarity NPC475558
0.6279 Remote Similarity NPC124544
0.6279 Remote Similarity NPC22388
0.6277 Remote Similarity NPC473656
0.627 Remote Similarity NPC173272
0.627 Remote Similarity NPC471843
0.6268 Remote Similarity NPC265275
0.6268 Remote Similarity NPC94881
0.6268 Remote Similarity NPC48886
0.626 Remote Similarity NPC470587
0.6259 Remote Similarity NPC11379
0.625 Remote Similarity NPC267921
0.625 Remote Similarity NPC477521
0.625 Remote Similarity NPC108371
0.625 Remote Similarity NPC471041
0.6242 Remote Similarity NPC287885
0.6241 Remote Similarity NPC218853
0.6241 Remote Similarity NPC477069
0.6241 Remote Similarity NPC477070
0.6241 Remote Similarity NPC475588
0.6232 Remote Similarity NPC471121
0.6232 Remote Similarity NPC470276
0.6232 Remote Similarity NPC475372
0.6232 Remote Similarity NPC471118
0.6231 Remote Similarity NPC474775
0.6231 Remote Similarity NPC87927
0.6231 Remote Similarity NPC159442
0.6231 Remote Similarity NPC36688
0.6231 Remote Similarity NPC471005
0.623 Remote Similarity NPC203170
0.6224 Remote Similarity NPC96010
0.6224 Remote Similarity NPC476501
0.6224 Remote Similarity NPC204556
0.6224 Remote Similarity NPC317654
0.6222 Remote Similarity NPC126691
0.6222 Remote Similarity NPC469466
0.6214 Remote Similarity NPC470277
0.6212 Remote Similarity NPC473037
0.6212 Remote Similarity NPC176773
0.621 Remote Similarity NPC26888
0.621 Remote Similarity NPC150383
0.621 Remote Similarity NPC474631
0.6207 Remote Similarity NPC201359
0.6202 Remote Similarity NPC236585
0.6197 Remote Similarity NPC321197
0.6194 Remote Similarity NPC42776
0.6194 Remote Similarity NPC475563
0.6194 Remote Similarity NPC101450
0.6194 Remote Similarity NPC139778
0.6194 Remote Similarity NPC197428
0.6194 Remote Similarity NPC472313
0.6194 Remote Similarity NPC475134
0.619 Remote Similarity NPC279974
0.619 Remote Similarity NPC470016
0.619 Remote Similarity NPC317586
0.6187 Remote Similarity NPC19028
0.6187 Remote Similarity NPC9674
0.6187 Remote Similarity NPC161065
0.6187 Remote Similarity NPC312536
0.6183 Remote Similarity NPC28656
0.6183 Remote Similarity NPC29705
0.6181 Remote Similarity NPC478136
0.6181 Remote Similarity NPC476497
0.6179 Remote Similarity NPC474889
0.6179 Remote Similarity NPC474679
0.6176 Remote Similarity NPC255017
0.6176 Remote Similarity NPC312017
0.6176 Remote Similarity NPC28224
0.6176 Remote Similarity NPC194100
0.6176 Remote Similarity NPC9848
0.6176 Remote Similarity NPC472757
0.6174 Remote Similarity NPC246209
0.6172 Remote Similarity NPC271387
0.6172 Remote Similarity NPC91604
0.6172 Remote Similarity NPC38471
0.6172 Remote Similarity NPC28864
0.6172 Remote Similarity NPC153792
0.6172 Remote Similarity NPC38296
0.6172 Remote Similarity NPC472028
0.6172 Remote Similarity NPC162459
0.6172 Remote Similarity NPC98837
0.6172 Remote Similarity NPC477854
0.6172 Remote Similarity NPC20479
0.617 Remote Similarity NPC222688
0.6165 Remote Similarity NPC472218
0.6165 Remote Similarity NPC19412
0.6165 Remote Similarity NPC472217
0.6165 Remote Similarity NPC472219
0.6165 Remote Similarity NPC469844
0.6164 Remote Similarity NPC475472
0.616 Remote Similarity NPC477435
0.616 Remote Similarity NPC469315
0.616 Remote Similarity NPC470224
0.616 Remote Similarity NPC477436

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC280903 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
0.6791 Remote Similarity NPD7517 Approved
0.6791 Remote Similarity NPD7519 Approved
0.6791 Remote Similarity NPD7518 Approved
0.6715 Remote Similarity NPD7122 Discontinued
0.669 Remote Similarity NPD6845 Suspended
0.6449 Remote Similarity NPD6908 Approved
0.6449 Remote Similarity NPD6909 Approved
0.64 Remote Similarity NPD5349 Clinical (unspecified phase)
0.626 Remote Similarity NPD7333 Discontinued
0.6204 Remote Similarity NPD6940 Discontinued
0.6181 Remote Similarity NPD8337 Approved
0.6181 Remote Similarity NPD8336 Approved
0.6164 Remote Similarity NPD7260 Phase 2
0.6159 Remote Similarity NPD8137 Clinical (unspecified phase)
0.6136 Remote Similarity NPD6920 Discontinued
0.6136 Remote Similarity NPD6008 Approved
0.6133 Remote Similarity NPD6334 Approved
0.6133 Remote Similarity NPD6333 Approved
0.6124 Remote Similarity NPD8418 Phase 2
0.6122 Remote Similarity NPD8338 Approved
0.6099 Remote Similarity NPD6921 Approved
0.6045 Remote Similarity NPD7320 Approved
0.6032 Remote Similarity NPD6399 Phase 3
0.6015 Remote Similarity NPD5739 Approved
0.6015 Remote Similarity NPD6675 Approved
0.6015 Remote Similarity NPD7128 Approved
0.6015 Remote Similarity NPD6402 Approved
0.6014 Remote Similarity NPD8449 Approved
0.5986 Remote Similarity NPD8274 Clinical (unspecified phase)
0.5986 Remote Similarity NPD7751 Phase 1
0.5973 Remote Similarity NPD8450 Suspended
0.5971 Remote Similarity NPD7755 Approved
0.5971 Remote Similarity NPD7754 Approved
0.5942 Remote Similarity NPD8298 Phase 2
0.5926 Remote Similarity NPD6881 Approved
0.5926 Remote Similarity NPD6899 Approved
0.5903 Remote Similarity NPD7604 Phase 2
0.589 Remote Similarity NPD7078 Approved
0.5882 Remote Similarity NPD6373 Approved
0.5882 Remote Similarity NPD6372 Approved
0.587 Remote Similarity NPD6053 Discontinued
0.587 Remote Similarity NPD7335 Phase 2
0.587 Remote Similarity NPD7337 Clinical (unspecified phase)
0.587 Remote Similarity NPD7336 Phase 2
0.5862 Remote Similarity NPD7492 Approved
0.5852 Remote Similarity NPD5697 Approved
0.5852 Remote Similarity NPD5701 Approved
0.5839 Remote Similarity NPD7290 Approved
0.5839 Remote Similarity NPD7102 Approved
0.5839 Remote Similarity NPD6883 Approved
0.5833 Remote Similarity NPD8080 Discontinued
0.5827 Remote Similarity NPD8035 Phase 2
0.5827 Remote Similarity NPD8034 Phase 2
0.5822 Remote Similarity NPD7507 Approved
0.5822 Remote Similarity NPD6616 Approved
0.5804 Remote Similarity NPD7147 Phase 3
0.5804 Remote Similarity NPD6054 Approved
0.5804 Remote Similarity NPD7148 Clinical (unspecified phase)
0.5804 Remote Similarity NPD6059 Approved
0.5802 Remote Similarity NPD7638 Approved
0.58 Remote Similarity NPD2613 Approved
0.5797 Remote Similarity NPD6869 Approved
0.5797 Remote Similarity NPD6847 Approved
0.5797 Remote Similarity NPD8130 Phase 1
0.5797 Remote Similarity NPD6649 Approved
0.5797 Remote Similarity NPD6617 Approved
0.5797 Remote Similarity NPD6650 Approved
0.5782 Remote Similarity NPD8293 Discontinued
0.5766 Remote Similarity NPD6012 Approved
0.5766 Remote Similarity NPD6014 Approved
0.5766 Remote Similarity NPD6013 Approved
0.5758 Remote Similarity NPD7640 Approved
0.5758 Remote Similarity NPD7639 Approved
0.5755 Remote Similarity NPD8297 Approved
0.5755 Remote Similarity NPD6882 Approved
0.5743 Remote Similarity NPD7736 Approved
0.5735 Remote Similarity NPD7646 Clinical (unspecified phase)
0.5735 Remote Similarity NPD8140 Approved
0.5735 Remote Similarity NPD8307 Discontinued
0.5724 Remote Similarity NPD6370 Approved
0.5714 Remote Similarity NPD4264 Clinical (unspecified phase)
0.5714 Remote Similarity NPD8273 Phase 1
0.5714 Remote Similarity NPD4632 Approved
0.5705 Remote Similarity NPD7319 Approved
0.5704 Remote Similarity NPD8295 Clinical (unspecified phase)
0.5703 Remote Similarity NPD6411 Approved
0.5694 Remote Similarity NPD6319 Approved
0.5693 Remote Similarity NPD6415 Discontinued
0.5693 Remote Similarity NPD6011 Approved
0.5686 Remote Similarity NPD2571 Approved
0.5686 Remote Similarity NPD4746 Phase 3
0.5686 Remote Similarity NPD4745 Approved
0.5686 Remote Similarity NPD3087 Approved
0.5686 Remote Similarity NPD2566 Approved
0.5686 Remote Similarity NPD3089 Approved
0.5686 Remote Similarity NPD8387 Clinical (unspecified phase)
0.5686 Remote Similarity NPD3090 Approved
0.5686 Remote Similarity NPD2574 Discontinued
0.5686 Remote Similarity NPD2573 Approved
0.5686 Remote Similarity NPD2572 Clinical (unspecified phase)
0.5686 Remote Similarity NPD3615 Approved
0.5686 Remote Similarity NPD3614 Approved
0.5686 Remote Similarity NPD3616 Approved
0.5686 Remote Similarity NPD2570 Approved
0.5686 Remote Similarity NPD3088 Approved
0.5683 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5672 Remote Similarity NPD7632 Discontinued
0.5669 Remote Similarity NPD5328 Approved
0.5664 Remote Similarity NPD7641 Discontinued
0.5662 Remote Similarity NPD8040 Discontinued
0.5659 Remote Similarity NPD5781 Clinical (unspecified phase)
0.5655 Remote Similarity NPD6016 Approved
0.5655 Remote Similarity NPD6015 Approved
0.5652 Remote Similarity NPD4061 Clinical (unspecified phase)
0.5652 Remote Similarity NPD8132 Clinical (unspecified phase)
0.5633 Remote Similarity NPD5193 Discontinued
0.5621 Remote Similarity NPD8415 Approved
0.562 Remote Similarity NPD6412 Phase 2
0.5616 Remote Similarity NPD5988 Approved
0.5613 Remote Similarity NPD4686 Approved
0.5613 Remote Similarity NPD4684 Phase 3
0.5613 Remote Similarity NPD4685 Phase 3
0.5612 Remote Similarity NPD5955 Clinical (unspecified phase)
0.5612 Remote Similarity NPD6420 Discontinued
0.5606 Remote Similarity NPD4755 Approved
0.5606 Remote Similarity NPD6083 Phase 2
0.5606 Remote Similarity NPD6084 Phase 2
0.56 Remote Similarity NPD7520 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   21589083
ChEMBL   CHEMBL2063000
ZINC  

Physicochemical Properties

Molecular Weight:  487.26
ALogP:  -0.7019
MLogP:  3.55
XLogP:  1.487
# Rotatable Bonds:  12
Polar Surface Area:  102.37
# H-Bond Aceptor:  8
# H-Bond Donor:  1
# Rings:  6
# Heavy Atoms:  35

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Biological Activities  
Similar NPs/Drugs