Natural Product: NPC473541

Natural Product ID:  NPC473541
Common Name:   Taxine Ii
IUPAC Name:  
Synonyms:  
Molecular Formula:   C37H49NO9
Standard InCHIKey:  UJARNTWLSVMUJF-HHNKTFFCSA-N
Standard InCHI:  InChI=1S/C37H49NO9/c1-20-28(42)18-26-33(44-22(3)39)32-21(2)29(47-30(43)19-27(38(9)10)25-14-12-11-13-15-25)16-17-37(32,8)35(46-24(5)41)34(45-23(4)40)31(20)36(26,6)7/h11-15,26-27,29,32-35H,2,16-19H2,1,3-10H3/t26-,27+,29-,32-,33+,34+,35-,37+/m0/s1
Canonical SMILES:  O=C(C[C@H](c1ccccc1)N(C)C)O[C@H]1CC[C@@]2([C@@H](C1=C)[C@H](OC(=O)C)[C@@H]1CC(=O)C(=C([C@H]([C@@H]2OC(=O)C)OC(=O)C)C1(C)C)C)C
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
NPO24820 Taxus cuspidata Species Taxaceae Eukaryota Japan PMID[14987066]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Activity = 95 % 26420067

  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 NPC473541 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
0.9562 High Similarity NPC475128
0.9496 High Similarity NPC260194
0.9362 High Similarity NPC94602
0.8529 High Similarity NPC469742
0.8286 Intermediate Similarity NPC195224
0.8227 Intermediate Similarity NPC225103
0.8214 Intermediate Similarity NPC473423
0.8169 Intermediate Similarity NPC472388
0.8169 Intermediate Similarity NPC473443
0.8112 Intermediate Similarity NPC472361
0.8112 Intermediate Similarity NPC472418
0.8056 Intermediate Similarity NPC471880
0.8056 Intermediate Similarity NPC209851
0.8056 Intermediate Similarity NPC472394
0.8 Intermediate Similarity NPC472437
0.7931 Intermediate Similarity NPC475493
0.7931 Intermediate Similarity NPC80599
0.7826 Intermediate Similarity NPC89324
0.7816 Intermediate Similarity NPC36607
0.7786 Intermediate Similarity NPC473439
0.7786 Intermediate Similarity NPC300827
0.7733 Intermediate Similarity NPC472395
0.7733 Intermediate Similarity NPC472371
0.773 Intermediate Similarity NPC473749
0.7676 Intermediate Similarity NPC12016
0.7674 Intermediate Similarity NPC471623
0.7667 Intermediate Similarity NPC184109
0.763 Intermediate Similarity NPC471754
0.763 Intermediate Similarity NPC206211
0.763 Intermediate Similarity NPC317882
0.763 Intermediate Similarity NPC324251
0.763 Intermediate Similarity NPC275170
0.763 Intermediate Similarity NPC473300
0.763 Intermediate Similarity NPC306001
0.763 Intermediate Similarity NPC473400
0.763 Intermediate Similarity NPC475336
0.763 Intermediate Similarity NPC453583
0.763 Intermediate Similarity NPC471629
0.7622 Intermediate Similarity NPC472373
0.76 Intermediate Similarity NPC472372
0.76 Intermediate Similarity NPC472374
0.7586 Intermediate Similarity NPC67246
0.7586 Intermediate Similarity NPC33372
0.7584 Intermediate Similarity NPC471911
0.7584 Intermediate Similarity NPC4242
0.7569 Intermediate Similarity NPC471758
0.7566 Intermediate Similarity NPC475400
0.7517 Intermediate Similarity NPC45821
0.7514 Intermediate Similarity NPC327699
0.7458 Intermediate Similarity NPC321072
0.7458 Intermediate Similarity NPC215892
0.7458 Intermediate Similarity NPC242662
0.7458 Intermediate Similarity NPC191193
0.7416 Intermediate Similarity NPC471606
0.7416 Intermediate Similarity NPC181964
0.7416 Intermediate Similarity NPC208553
0.7397 Intermediate Similarity NPC470818
0.7397 Intermediate Similarity NPC473082
0.7374 Intermediate Similarity NPC473558
0.7374 Intermediate Similarity NPC473490
0.7372 Intermediate Similarity NPC471912
0.7372 Intermediate Similarity NPC80895
0.7365 Intermediate Similarity NPC93632
0.7358 Intermediate Similarity NPC472761
0.7355 Intermediate Similarity NPC34012
0.7338 Intermediate Similarity NPC473440
0.7329 Intermediate Similarity NPC473083
0.7325 Intermediate Similarity NPC277053
0.7325 Intermediate Similarity NPC301946
0.7293 Intermediate Similarity NPC472375
0.7293 Intermediate Similarity NPC472392
0.7278 Intermediate Similarity NPC120667
0.7278 Intermediate Similarity NPC278272
0.7253 Intermediate Similarity NPC472391
0.7244 Intermediate Similarity NPC475135
0.7244 Intermediate Similarity NPC63737
0.7234 Intermediate Similarity NPC476476
0.7233 Intermediate Similarity NPC217918
0.7229 Intermediate Similarity NPC253738
0.7226 Intermediate Similarity NPC183270
0.7226 Intermediate Similarity NPC477904
0.7197 Intermediate Similarity NPC262216
0.719 Intermediate Similarity NPC17877
0.719 Intermediate Similarity NPC66761
0.719 Intermediate Similarity NPC291638
0.719 Intermediate Similarity NPC195647
0.719 Intermediate Similarity NPC472577
0.719 Intermediate Similarity NPC473216
0.719 Intermediate Similarity NPC473399
0.7188 Intermediate Similarity NPC470274
0.7174 Intermediate Similarity NPC289383
0.717 Intermediate Similarity NPC474935
0.7152 Intermediate Similarity NPC38696
0.7152 Intermediate Similarity NPC31171
0.7152 Intermediate Similarity NPC237240
0.7143 Intermediate Similarity NPC91730
0.7135 Intermediate Similarity NPC116862
0.7133 Intermediate Similarity NPC152812
0.7124 Intermediate Similarity NPC474608
0.7123 Intermediate Similarity NPC70973
0.7115 Intermediate Similarity NPC473085
0.7115 Intermediate Similarity NPC473112
0.7115 Intermediate Similarity NPC43241
0.7115 Intermediate Similarity NPC184747
0.7115 Intermediate Similarity NPC473109
0.7115 Intermediate Similarity NPC4341
0.7115 Intermediate Similarity NPC473613
0.7115 Intermediate Similarity NPC147880
0.7115 Intermediate Similarity NPC476094
0.7115 Intermediate Similarity NPC200592
0.7115 Intermediate Similarity NPC472547
0.7115 Intermediate Similarity NPC211137
0.7115 Intermediate Similarity NPC473060
0.7115 Intermediate Similarity NPC473081
0.7115 Intermediate Similarity NPC473758
0.7115 Intermediate Similarity NPC48017
0.7114 Intermediate Similarity NPC190849
0.7114 Intermediate Similarity NPC171007
0.7107 Intermediate Similarity NPC173934
0.7101 Intermediate Similarity NPC30171
0.7099 Intermediate Similarity NPC197037
0.7086 Intermediate Similarity NPC147561
0.7078 Intermediate Similarity NPC477893
0.707 Intermediate Similarity NPC16912
0.7063 Intermediate Similarity NPC470820
0.7059 Intermediate Similarity NPC15850
0.7055 Intermediate Similarity NPC37641
0.7055 Intermediate Similarity NPC311175
0.7051 Intermediate Similarity NPC239770
0.7051 Intermediate Similarity NPC214550
0.7051 Intermediate Similarity NPC475652
0.7051 Intermediate Similarity NPC210591
0.7048 Intermediate Similarity NPC73644
0.7047 Intermediate Similarity NPC473110
0.7047 Intermediate Similarity NPC470816
0.7047 Intermediate Similarity NPC473111
0.7044 Intermediate Similarity NPC111466
0.7044 Intermediate Similarity NPC470231
0.7034 Intermediate Similarity NPC470814
0.7032 Intermediate Similarity NPC472545
0.7032 Intermediate Similarity NPC472551
0.7029 Intermediate Similarity NPC475649
0.7027 Intermediate Similarity NPC12881
0.7027 Intermediate Similarity NPC140118
0.7025 Intermediate Similarity NPC140021
0.7025 Intermediate Similarity NPC472546
0.7019 Intermediate Similarity NPC201692
0.7017 Intermediate Similarity NPC21483
0.7017 Intermediate Similarity NPC198205
0.7014 Intermediate Similarity NPC84129
0.7012 Intermediate Similarity NPC229545
0.7012 Intermediate Similarity NPC219419
0.7012 Intermediate Similarity NPC248265
0.7012 Intermediate Similarity NPC134685
0.7012 Intermediate Similarity NPC11588
0.7007 Intermediate Similarity NPC475328
0.7006 Intermediate Similarity NPC111586
0.7006 Intermediate Similarity NPC90614
0.7006 Intermediate Similarity NPC476750
0.7006 Intermediate Similarity NPC97667
0.7006 Intermediate Similarity NPC108852
0.7006 Intermediate Similarity NPC171207
0.7006 Intermediate Similarity NPC261709
0.7 Intermediate Similarity NPC471100
0.7 Intermediate Similarity NPC471107
0.7 Intermediate Similarity NPC264270
0.7 Intermediate Similarity NPC40085
0.7 Intermediate Similarity NPC127857
0.6987 Remote Similarity NPC183122
0.6987 Remote Similarity NPC39549
0.6987 Remote Similarity NPC283375
0.6987 Remote Similarity NPC475373
0.6981 Remote Similarity NPC246480
0.6981 Remote Similarity NPC139067
0.6981 Remote Similarity NPC270498
0.6981 Remote Similarity NPC477894
0.6981 Remote Similarity NPC191082
0.6981 Remote Similarity NPC177340
0.6981 Remote Similarity NPC475429
0.6981 Remote Similarity NPC147217
0.6981 Remote Similarity NPC473673
0.698 Remote Similarity NPC114927
0.6971 Remote Similarity NPC475345
0.697 Remote Similarity NPC21410
0.697 Remote Similarity NPC473670
0.697 Remote Similarity NPC114357
0.697 Remote Similarity NPC155329
0.697 Remote Similarity NPC259144
0.6968 Remote Similarity NPC477896
0.6966 Remote Similarity NPC473860
0.6962 Remote Similarity NPC27377
0.6962 Remote Similarity NPC224491
0.6962 Remote Similarity NPC118080
0.6962 Remote Similarity NPC472576
0.6962 Remote Similarity NPC87448
0.6962 Remote Similarity NPC41481
0.6962 Remote Similarity NPC291599
0.6962 Remote Similarity NPC97947
0.6954 Remote Similarity NPC476113
0.6954 Remote Similarity NPC230331

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC473541 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
0.7765 Intermediate Similarity NPD8424 Clinical (unspecified phase)
0.7674 Intermediate Similarity NPD8435 Approved
0.7674 Intermediate Similarity NPD8361 Approved
0.7674 Intermediate Similarity NPD8360 Approved
0.7416 Intermediate Similarity NPD8485 Approved
0.7396 Intermediate Similarity NPD8470 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD2607 Approved
0.7368 Intermediate Similarity NPD8368 Discontinued
0.7341 Intermediate Similarity NPD8407 Phase 2
0.7293 Intermediate Similarity NPD8486 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD7274 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD7702 Clinical (unspecified phase)
0.7019 Intermediate Similarity NPD8389 Clinical (unspecified phase)
0.6993 Remote Similarity NPD7713 Phase 3
0.698 Remote Similarity NPD5667 Approved
0.6933 Remote Similarity NPD7606 Phase 3
0.6875 Remote Similarity NPD8462 Phase 1
0.6867 Remote Similarity NPD6386 Approved
0.6867 Remote Similarity NPD6385 Approved
0.6852 Remote Similarity NPD7478 Approved
0.6848 Remote Similarity NPD6591 Clinical (unspecified phase)
0.6836 Remote Similarity NPD8658 Clinical (unspecified phase)
0.6835 Remote Similarity NPD5706 Approved
0.6835 Remote Similarity NPD5704 Approved
0.6835 Remote Similarity NPD5705 Approved
0.6797 Remote Similarity NPD2613 Approved
0.6783 Remote Similarity NPD7094 Approved
0.6783 Remote Similarity NPD6858 Approved
0.6781 Remote Similarity NPD6065 Approved
0.6774 Remote Similarity NPD7714 Approved
0.6774 Remote Similarity NPD7715 Approved
0.677 Remote Similarity NPD7487 Discontinued
0.6763 Remote Similarity NPD5242 Approved
0.6753 Remote Similarity NPD6039 Approved
0.6735 Remote Similarity NPD8404 Phase 2
0.6712 Remote Similarity NPD4574 Approved
0.6712 Remote Similarity NPD4576 Approved
0.6709 Remote Similarity NPD2569 Approved
0.6709 Remote Similarity NPD2567 Approved
0.669 Remote Similarity NPD5240 Approved
0.669 Remote Similarity NPD5235 Approved
0.669 Remote Similarity NPD4766 Approved
0.669 Remote Similarity NPD5237 Approved
0.669 Remote Similarity NPD5236 Approved
0.669 Remote Similarity NPD5239 Approved
0.6667 Remote Similarity NPD2570 Approved
0.6667 Remote Similarity NPD2571 Approved
0.6667 Remote Similarity NPD3088 Approved
0.6667 Remote Similarity NPD3089 Approved
0.6667 Remote Similarity NPD4745 Approved
0.6667 Remote Similarity NPD2572 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2573 Approved
0.6667 Remote Similarity NPD3615 Approved
0.6667 Remote Similarity NPD2574 Discontinued
0.6667 Remote Similarity NPD3616 Approved
0.6667 Remote Similarity NPD3087 Approved
0.6667 Remote Similarity NPD2566 Approved
0.6667 Remote Similarity NPD4746 Phase 3
0.6667 Remote Similarity NPD3090 Approved
0.6667 Remote Similarity NPD3614 Approved
0.6648 Remote Similarity NPD7962 Phase 2
0.6647 Remote Similarity NPD7244 Discontinued
0.6626 Remote Similarity NPD7295 Approved
0.6623 Remote Similarity NPD6637 Approved
0.661 Remote Similarity NPD5312 Approved
0.661 Remote Similarity NPD5313 Approved
0.659 Remote Similarity NPD8003 Clinical (unspecified phase)
0.659 Remote Similarity NPD8002 Clinical (unspecified phase)
0.6582 Remote Similarity NPD8302 Clinical (unspecified phase)
0.6582 Remote Similarity NPD4685 Phase 3
0.6582 Remote Similarity NPD4686 Approved
0.6582 Remote Similarity NPD4684 Phase 3
0.6581 Remote Similarity NPD5202 Clinical (unspecified phase)
0.6579 Remote Similarity NPD5157 Phase 1
0.6579 Remote Similarity NPD5159 Phase 2
0.6579 Remote Similarity NPD5158 Clinical (unspecified phase)
0.6577 Remote Similarity NPD5981 Approved
0.6573 Remote Similarity NPD1756 Approved
0.6573 Remote Similarity NPD1752 Approved
0.6568 Remote Similarity NPD6873 Phase 2
0.6564 Remote Similarity NPD2575 Approved
0.6557 Remote Similarity NPD7693 Approved
0.6556 Remote Similarity NPD4218 Approved
0.6556 Remote Similarity NPD4217 Approved
0.6556 Remote Similarity NPD2609 Approved
0.6556 Remote Similarity NPD2612 Approved
0.6556 Remote Similarity NPD3131 Approved
0.6556 Remote Similarity NPD2608 Approved
0.6556 Remote Similarity NPD4215 Approved
0.6556 Remote Similarity NPD3132 Approved
0.6556 Remote Similarity NPD2610 Approved
0.6556 Remote Similarity NPD2611 Approved
0.6556 Remote Similarity NPD518 Clinical (unspecified phase)
0.6556 Remote Similarity NPD4216 Approved
0.6541 Remote Similarity NPD3528 Clinical (unspecified phase)
0.6536 Remote Similarity NPD2198 Approved
0.6536 Remote Similarity NPD2199 Approved
0.6534 Remote Similarity NPD4481 Phase 3
0.6528 Remote Similarity NPD2201 Approved
0.6527 Remote Similarity NPD3640 Phase 3
0.6527 Remote Similarity NPD3641 Approved
0.6527 Remote Similarity NPD3639 Approved
0.6519 Remote Similarity NPD6310 Approved
0.6519 Remote Similarity NPD6309 Approved
0.6519 Remote Similarity NPD6311 Approved
0.6507 Remote Similarity NPD1373 Approved
0.6507 Remote Similarity NPD1371 Approved
0.6507 Remote Similarity NPD1374 Approved
0.6507 Remote Similarity NPD1370 Approved
0.6494 Remote Similarity NPD2625 Approved
0.6494 Remote Similarity NPD2626 Approved
0.6494 Remote Similarity NPD2160 Approved
0.6494 Remote Similarity NPD2159 Approved
0.6494 Remote Similarity NPD2627 Approved
0.6494 Remote Similarity NPD2628 Approved
0.6491 Remote Similarity NPD7114 Clinical (unspecified phase)
0.6474 Remote Similarity NPD4617 Approved
0.6474 Remote Similarity NPD5203 Approved
0.6474 Remote Similarity NPD4620 Approved
0.6474 Remote Similarity NPD5201 Approved
0.6471 Remote Similarity NPD6677 Suspended
0.6471 Remote Similarity NPD6025 Phase 1
0.6471 Remote Similarity NPD6570 Approved
0.6471 Remote Similarity NPD6571 Approved
0.6463 Remote Similarity NPD8166 Discontinued
0.6463 Remote Similarity NPD7488 Clinical (unspecified phase)
0.6463 Remote Similarity NPD1711 Phase 2
0.6458 Remote Similarity NPD2067 Discontinued
0.6458 Remote Similarity NPD4233 Approved
0.6458 Remote Similarity NPD4234 Approved
0.6458 Remote Similarity NPD3646 Clinical (unspecified phase)
0.6457 Remote Similarity NPD6107 Approved
0.6455 Remote Similarity NPD4420 Approved
0.6453 Remote Similarity NPD5977 Approved
0.6453 Remote Similarity NPD5978 Approved
0.6447 Remote Similarity NPD4806 Approved
0.6447 Remote Similarity NPD4807 Approved
0.6447 Remote Similarity NPD7437 Approved
0.6447 Remote Similarity NPD7436 Approved
0.6446 Remote Similarity NPD8165 Discontinued
0.6443 Remote Similarity NPD2484 Approved
0.6443 Remote Similarity NPD2485 Approved
0.6438 Remote Similarity NPD6817 Clinical (unspecified phase)
0.6437 Remote Similarity NPD7036 Phase 3
0.6437 Remote Similarity NPD7035 Approved
0.6432 Remote Similarity NPD7235 Clinical (unspecified phase)
0.6425 Remote Similarity NPD8320 Phase 1
0.6425 Remote Similarity NPD8319 Approved
0.6424 Remote Similarity NPD5306 Approved
0.6424 Remote Similarity NPD5305 Approved
0.6424 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6415 Remote Similarity NPD3373 Approved
0.6415 Remote Similarity NPD5120 Approved
0.6415 Remote Similarity NPD5184 Approved
0.6415 Remote Similarity NPD5119 Approved
0.6415 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6415 Remote Similarity NPD5185 Approved
0.6415 Remote Similarity NPD5182 Approved
0.6415 Remote Similarity NPD5121 Approved
0.641 Remote Similarity NPD5204 Approved
0.641 Remote Similarity NPD7084 Phase 3
0.6406 Remote Similarity NPD5006 Approved
0.6406 Remote Similarity NPD5005 Approved
0.6402 Remote Similarity NPD7082 Approved
0.6402 Remote Similarity NPD7179 Phase 2
0.64 Remote Similarity NPD2994 Approved
0.6398 Remote Similarity NPD6295 Approved
0.6398 Remote Similarity NPD6294 Approved
0.6392 Remote Similarity NPD4621 Approved
0.6392 Remote Similarity NPD4619 Approved
0.6391 Remote Similarity NPD7239 Suspended
0.6389 Remote Similarity NPD7775 Approved
0.6386 Remote Similarity NPD4607 Approved
0.6386 Remote Similarity NPD7236 Approved
0.6384 Remote Similarity NPD7687 Clinical (unspecified phase)
0.6382 Remote Similarity NPD7813 Approved
0.6382 Remote Similarity NPD7815 Approved
0.6382 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6379 Remote Similarity NPD8008 Approved
0.6379 Remote Similarity NPD8007 Approved
0.6376 Remote Similarity NPD5162 Approved
0.6373 Remote Similarity NPD7497 Discontinued
0.6369 Remote Similarity NPD7893 Clinical (unspecified phase)
0.6369 Remote Similarity NPD4513 Discontinued
0.6369 Remote Similarity NPD7799 Discontinued
0.6369 Remote Similarity NPD7314 Clinical (unspecified phase)
0.6364 Remote Similarity NPD7259 Approved
0.6364 Remote Similarity NPD7253 Phase 3
0.6352 Remote Similarity NPD7961 Discontinued
0.6351 Remote Similarity NPD2629 Approved
0.6347 Remote Similarity NPD6758 Approved
0.6346 Remote Similarity NPD7247 Discontinued
0.6343 Remote Similarity NPD7591 Clinical (unspecified phase)
0.634 Remote Similarity NPD6287 Discontinued
0.6339 Remote Similarity NPD2968 Approved
0.6339 Remote Similarity NPD2971 Approved
0.6335 Remote Similarity NPD8285 Discontinued
0.6333 Remote Similarity NPD2116 Approved
0.6333 Remote Similarity NPD2117 Pre-registration
0.6333 Remote Similarity NPD2115 Approved

Structure

External Identifiers

PubChem CID   21575025
ChEMBL   CHEMBL445025
ZINC  

Physicochemical Properties

Molecular Weight:  651.34
ALogP:  1.1912
MLogP:  4.43
XLogP:  5.21
# Rotatable Bonds:  21
Polar Surface Area:  125.51
# H-Bond Aceptor:  10
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  47

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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