Natural Product: NPC45821

Natural Product ID:  NPC45821
Common Name:   Taxezopidine H
IUPAC Name:  
Synonyms:   taxezopidine H
Molecular Formula:   C35H44O9
Standard InCHIKey:  SOSLCGUOOOQMEN-HNCSRTHDSA-N
Standard InCHI:  InChI=1S/C35H44O9/c1-19-26-16-25-17-27(39)20(2)31(34(25,6)7)32(42-22(4)37)33(43-23(5)38)35(26,8)29(41-21(3)36)18-28(19)44-30(40)15-14-24-12-10-9-11-13-24/h9-15,25-29,32-33,39H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27+,28+,29+,32-,33+,35+/m1/s1
Canonical SMILES:  CC(=O)O[C@H]1C[C@H](OC(=O)/C=C/c2ccccc2)C(=C)[C@@H]2[C@]1(C)[C@@H](OC(=O)C)[C@H](OC(=O)C)C1=C([C@H](C[C@@H](C2)C1(C)C)O)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
NPO33211 japanese yew Species NA NA PMID[9873389]
NPO24820 Taxus cuspidata Species Taxaceae Eukaryota Japan PMID[14987066]
NPO24820 Taxus cuspidata Species Taxaceae Eukaryota TCMID*
NPO15125.2 Taxus wallichiana var. wallichiana Varieties Taxaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT137 Cell Line L1210 Mus musculus IC50 = 6.2 ug/ml 9873389
NPT2 Others Unspecified IC50 > 10 ug/ml 9873389
NPT2 Others Unspecified Activity = 106 % 14987066

  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 NPC45821 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
0.9915 High Similarity NPC471758
0.9831 High Similarity NPC472373
0.9746 High Similarity NPC12016
0.959 High Similarity NPC93632
0.9576 High Similarity NPC473439
0.9576 High Similarity NPC300827
0.9322 High Similarity NPC89324
0.9206 High Similarity NPC80599
0.92 High Similarity NPC472388
0.9174 High Similarity NPC473749
0.9174 High Similarity NPC475328
0.9153 High Similarity NPC470820
0.912 High Similarity NPC225103
0.9048 High Similarity NPC473443
0.904 High Similarity NPC230331
0.904 High Similarity NPC195224
0.896 High Similarity NPC476971
0.896 High Similarity NPC476972
0.8923 High Similarity NPC472372
0.8923 High Similarity NPC472374
0.8889 High Similarity NPC58061
0.888 High Similarity NPC470158
0.888 High Similarity NPC475933
0.888 High Similarity NPC476970
0.88 High Similarity NPC284022
0.876 High Similarity NPC476976
0.876 High Similarity NPC209851
0.875 High Similarity NPC476476
0.8731 High Similarity NPC34012
0.872 High Similarity NPC469742
0.872 High Similarity NPC470815
0.871 High Similarity NPC70973
0.8682 High Similarity NPC476977
0.8682 High Similarity NPC472418
0.8651 High Similarity NPC473083
0.864 High Similarity NPC473870
0.864 High Similarity NPC473871
0.8629 High Similarity NPC311175
0.8629 High Similarity NPC37641
0.8607 High Similarity NPC84129
0.8603 High Similarity NPC38696
0.8583 High Similarity NPC473111
0.8583 High Similarity NPC473110
0.856 High Similarity NPC473889
0.8516 High Similarity NPC473423
0.8504 High Similarity NPC114927
0.8444 Intermediate Similarity NPC472547
0.8438 Intermediate Similarity NPC473082
0.8409 Intermediate Similarity NPC15850
0.8406 Intermediate Similarity NPC301946
0.8406 Intermediate Similarity NPC277053
0.8397 Intermediate Similarity NPC472361
0.8387 Intermediate Similarity NPC473860
0.8361 Intermediate Similarity NPC473869
0.8345 Intermediate Similarity NPC474935
0.8333 Intermediate Similarity NPC80895
0.8333 Intermediate Similarity NPC472394
0.8333 Intermediate Similarity NPC471912
0.8321 Intermediate Similarity NPC475513
0.8321 Intermediate Similarity NPC473755
0.832 Intermediate Similarity NPC470814
0.8309 Intermediate Similarity NPC90614
0.8296 Intermediate Similarity NPC39549
0.8286 Intermediate Similarity NPC217918
0.8273 Intermediate Similarity NPC472556
0.8271 Intermediate Similarity NPC472437
0.8261 Intermediate Similarity NPC477894
0.8248 Intermediate Similarity NPC41481
0.8248 Intermediate Similarity NPC118080
0.8248 Intermediate Similarity NPC87448
0.8248 Intermediate Similarity NPC291599
0.8248 Intermediate Similarity NPC27377
0.8248 Intermediate Similarity NPC97947
0.8248 Intermediate Similarity NPC16912
0.8248 Intermediate Similarity NPC472576
0.8239 Intermediate Similarity NPC197037
0.8231 Intermediate Similarity NPC171007
0.8231 Intermediate Similarity NPC190849
0.8222 Intermediate Similarity NPC472545
0.8222 Intermediate Similarity NPC472551
0.8201 Intermediate Similarity NPC204644
0.8195 Intermediate Similarity NPC475493
0.8195 Intermediate Similarity NPC471880
0.8188 Intermediate Similarity NPC192658
0.8188 Intermediate Similarity NPC140021
0.8188 Intermediate Similarity NPC472546
0.8175 Intermediate Similarity NPC100913
0.8175 Intermediate Similarity NPC275592
0.8175 Intermediate Similarity NPC171207
0.8175 Intermediate Similarity NPC162613
0.8175 Intermediate Similarity NPC87934
0.8175 Intermediate Similarity NPC97667
0.8169 Intermediate Similarity NPC91730
0.8162 Intermediate Similarity NPC184109
0.8156 Intermediate Similarity NPC320734
0.8154 Intermediate Similarity NPC470816
0.8148 Intermediate Similarity NPC477893
0.8143 Intermediate Similarity NPC174982
0.8143 Intermediate Similarity NPC200471
0.8143 Intermediate Similarity NPC472572
0.8143 Intermediate Similarity NPC184817
0.8143 Intermediate Similarity NPC470159
0.8143 Intermediate Similarity NPC70403
0.8143 Intermediate Similarity NPC29704
0.8143 Intermediate Similarity NPC96903
0.8143 Intermediate Similarity NPC476973
0.8143 Intermediate Similarity NPC472571
0.8143 Intermediate Similarity NPC471104
0.8143 Intermediate Similarity NPC158663
0.8143 Intermediate Similarity NPC177940
0.8143 Intermediate Similarity NPC171525
0.8143 Intermediate Similarity NPC473088
0.8143 Intermediate Similarity NPC472575
0.8143 Intermediate Similarity NPC469349
0.8143 Intermediate Similarity NPC472568
0.8143 Intermediate Similarity NPC470157
0.814 Intermediate Similarity NPC12881
0.814 Intermediate Similarity NPC140118
0.8129 Intermediate Similarity NPC163087
0.8125 Intermediate Similarity NPC134685
0.8125 Intermediate Similarity NPC11588
0.8125 Intermediate Similarity NPC229545
0.8125 Intermediate Similarity NPC248265
0.8116 Intermediate Similarity NPC224491
0.8102 Intermediate Similarity NPC9905
0.8099 Intermediate Similarity NPC474564
0.8092 Intermediate Similarity NPC5486
0.8085 Intermediate Similarity NPC473602
0.8077 Intermediate Similarity NPC474532
0.8071 Intermediate Similarity NPC472570
0.8071 Intermediate Similarity NPC70716
0.8071 Intermediate Similarity NPC470152
0.8071 Intermediate Similarity NPC95810
0.8071 Intermediate Similarity NPC476974
0.8071 Intermediate Similarity NPC95265
0.8071 Intermediate Similarity NPC241951
0.8071 Intermediate Similarity NPC125106
0.8071 Intermediate Similarity NPC472573
0.8071 Intermediate Similarity NPC472569
0.8071 Intermediate Similarity NPC57628
0.8071 Intermediate Similarity NPC475122
0.8071 Intermediate Similarity NPC111466
0.8071 Intermediate Similarity NPC475759
0.8071 Intermediate Similarity NPC11685
0.8071 Intermediate Similarity NPC34943
0.8071 Intermediate Similarity NPC163719
0.8071 Intermediate Similarity NPC188865
0.8071 Intermediate Similarity NPC25768
0.8069 Intermediate Similarity NPC259144
0.8069 Intermediate Similarity NPC21410
0.8069 Intermediate Similarity NPC473670
0.8069 Intermediate Similarity NPC155329
0.8069 Intermediate Similarity NPC114357
0.8062 Intermediate Similarity NPC182333
0.8062 Intermediate Similarity NPC273336
0.8043 Intermediate Similarity NPC473440
0.8042 Intermediate Similarity NPC475447
0.8042 Intermediate Similarity NPC70236
0.8042 Intermediate Similarity NPC476092
0.8042 Intermediate Similarity NPC475218
0.8015 Intermediate Similarity NPC472577
0.8015 Intermediate Similarity NPC195647
0.8015 Intermediate Similarity NPC66761
0.8015 Intermediate Similarity NPC275576
0.8015 Intermediate Similarity NPC291638
0.8015 Intermediate Similarity NPC17877
0.8015 Intermediate Similarity NPC477896
0.8014 Intermediate Similarity NPC40085
0.8014 Intermediate Similarity NPC264270
0.8014 Intermediate Similarity NPC125882
0.8 Intermediate Similarity NPC219419
0.8 Intermediate Similarity NPC91703
0.8 Intermediate Similarity NPC77691
0.8 Intermediate Similarity NPC95449
0.8 Intermediate Similarity NPC307139
0.7986 Intermediate Similarity NPC266374
0.7986 Intermediate Similarity NPC470617
0.7986 Intermediate Similarity NPC470153
0.7986 Intermediate Similarity NPC470616
0.7972 Intermediate Similarity NPC476975
0.7972 Intermediate Similarity NPC92293
0.7972 Intermediate Similarity NPC301556
0.7972 Intermediate Similarity NPC270590
0.7972 Intermediate Similarity NPC471101
0.7972 Intermediate Similarity NPC266265
0.7971 Intermediate Similarity NPC472395
0.7971 Intermediate Similarity NPC472371
0.7958 Intermediate Similarity NPC20255
0.7958 Intermediate Similarity NPC240115
0.7955 Intermediate Similarity NPC169913
0.7945 Intermediate Similarity NPC471176
0.7943 Intermediate Similarity NPC471139
0.7941 Intermediate Similarity NPC474608
0.7941 Intermediate Similarity NPC48929
0.7931 Intermediate Similarity NPC472548
0.7929 Intermediate Similarity NPC182869
0.7929 Intermediate Similarity NPC63737
0.7917 Intermediate Similarity NPC7095
0.7917 Intermediate Similarity NPC470245
0.7917 Intermediate Similarity NPC473214

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC45821 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
0.7692 Intermediate Similarity NPD7274 Clinical (unspecified phase)
0.7674 Intermediate Similarity NPD7741 Discontinued
0.7358 Intermediate Similarity NPD8470 Clinical (unspecified phase)
0.7308 Intermediate Similarity NPD4198 Discontinued
0.7293 Intermediate Similarity NPD5125 Phase 3
0.7293 Intermediate Similarity NPD5126 Approved
0.7279 Intermediate Similarity NPD7236 Approved
0.7234 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.7231 Intermediate Similarity NPD2629 Approved
0.7222 Intermediate Similarity NPD8368 Discontinued
0.7177 Intermediate Similarity NPD6647 Phase 2
0.7172 Intermediate Similarity NPD7266 Discontinued
0.7152 Intermediate Similarity NPD7239 Suspended
0.7143 Intermediate Similarity NPD8166 Discontinued
0.7143 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7108 Intermediate Similarity NPD8434 Phase 2
0.7091 Intermediate Similarity NPD8407 Phase 2
0.7081 Intermediate Similarity NPD7799 Discontinued
0.7024 Intermediate Similarity NPD8361 Approved
0.7024 Intermediate Similarity NPD8360 Approved
0.7023 Intermediate Similarity NPD6010 Discontinued
0.7008 Intermediate Similarity NPD6685 Approved
0.6981 Remote Similarity NPD8127 Discontinued
0.6947 Remote Similarity NPD6858 Approved
0.6947 Remote Similarity NPD7094 Approved
0.6929 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6929 Remote Similarity NPD5048 Discontinued
0.6923 Remote Similarity NPD8435 Approved
0.6913 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6913 Remote Similarity NPD4628 Phase 3
0.6905 Remote Similarity NPD8424 Clinical (unspecified phase)
0.6879 Remote Similarity NPD5736 Approved
0.685 Remote Similarity NPD5909 Discontinued
0.6824 Remote Similarity NPD5763 Approved
0.6824 Remote Similarity NPD5762 Approved
0.6809 Remote Similarity NPD6917 Clinical (unspecified phase)
0.6806 Remote Similarity NPD7961 Discontinued
0.68 Remote Similarity NPD6648 Approved
0.6783 Remote Similarity NPD7008 Discontinued
0.6782 Remote Similarity NPD8485 Approved
0.6772 Remote Similarity NPD5765 Approved
0.6772 Remote Similarity NPD5738 Clinical (unspecified phase)
0.6769 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6767 Remote Similarity NPD4869 Clinical (unspecified phase)
0.6759 Remote Similarity NPD4140 Approved
0.6755 Remote Similarity NPD6190 Approved
0.6752 Remote Similarity NPD37 Approved
0.6748 Remote Similarity NPD6049 Phase 2
0.6748 Remote Similarity NPD6048 Clinical (unspecified phase)
0.6746 Remote Similarity NPD5344 Discontinued
0.6742 Remote Similarity NPD6912 Phase 3
0.6738 Remote Similarity NPD3094 Phase 2
0.6736 Remote Similarity NPD6410 Clinical (unspecified phase)
0.673 Remote Similarity NPD7058 Phase 2
0.673 Remote Similarity NPD7057 Phase 3
0.673 Remote Similarity NPD4967 Phase 2
0.673 Remote Similarity NPD4966 Approved
0.673 Remote Similarity NPD4965 Approved
0.6716 Remote Similarity NPD5951 Approved
0.6715 Remote Similarity NPD7503 Approved
0.6712 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6712 Remote Similarity NPD5124 Phase 1
0.669 Remote Similarity NPD6663 Approved
0.6689 Remote Similarity NPD7305 Phase 1
0.6688 Remote Similarity NPD7314 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7639 Approved
0.6667 Remote Similarity NPD8486 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4141 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7640 Approved
0.6667 Remote Similarity NPD7798 Approved
0.6667 Remote Similarity NPD8651 Approved
0.6644 Remote Similarity NPD4060 Phase 1
0.6619 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6604 Remote Similarity NPD7819 Suspended
0.6591 Remote Similarity NPD2067 Discontinued
0.6587 Remote Similarity NPD4225 Approved
0.6587 Remote Similarity NPD7638 Approved
0.6571 Remote Similarity NPD3092 Approved
0.6557 Remote Similarity NPD7838 Discovery
0.6555 Remote Similarity NPD5734 Clinical (unspecified phase)
0.655 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6547 Remote Similarity NPD4626 Approved
0.6547 Remote Similarity NPD7163 Clinical (unspecified phase)
0.6543 Remote Similarity NPD6234 Discontinued
0.6535 Remote Similarity NPD2066 Phase 3
0.6532 Remote Similarity NPD5122 Clinical (unspecified phase)
0.6527 Remote Similarity NPD5844 Phase 1
0.6522 Remote Similarity NPD3091 Approved
0.6516 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6512 Remote Similarity NPD5700 Clinical (unspecified phase)
0.6512 Remote Similarity NPD8150 Discontinued
0.651 Remote Similarity NPD7097 Phase 1
0.6496 Remote Similarity NPD694 Clinical (unspecified phase)
0.6496 Remote Similarity NPD7327 Approved
0.6496 Remote Similarity NPD7328 Approved
0.6486 Remote Similarity NPD5735 Approved
0.6481 Remote Similarity NPD7075 Discontinued
0.6475 Remote Similarity NPD8379 Approved
0.6475 Remote Similarity NPD8378 Approved
0.6475 Remote Similarity NPD8296 Approved
0.6475 Remote Similarity NPD5691 Approved
0.6475 Remote Similarity NPD8380 Approved
0.6475 Remote Similarity NPD8335 Approved
0.6475 Remote Similarity NPD8033 Approved
0.6474 Remote Similarity NPD6273 Approved
0.6467 Remote Similarity NPD7228 Approved
0.6457 Remote Similarity NPD5926 Approved
0.6456 Remote Similarity NPD7458 Discontinued
0.6449 Remote Similarity NPD7516 Approved
0.6446 Remote Similarity NPD1282 Approved
0.6439 Remote Similarity NPD6686 Approved
0.6438 Remote Similarity NPD7095 Approved
0.6438 Remote Similarity NPD3027 Phase 3
0.6433 Remote Similarity NPD8313 Approved
0.6433 Remote Similarity NPD8312 Approved
0.6429 Remote Similarity NPD3095 Discontinued
0.6429 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6423 Remote Similarity NPD7157 Approved
0.6423 Remote Similarity NPD7115 Discovery
0.6418 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6415 Remote Similarity NPD4380 Phase 2
0.641 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6408 Remote Similarity NPD6637 Approved
0.6407 Remote Similarity NPD7473 Discontinued
0.6405 Remote Similarity NPD5698 Clinical (unspecified phase)
0.6405 Remote Similarity NPD6674 Discontinued
0.6405 Remote Similarity NPD1652 Phase 2
0.6403 Remote Similarity NPD8377 Approved
0.6403 Remote Similarity NPD8294 Approved
0.6398 Remote Similarity NPD8455 Phase 2
0.6398 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6395 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6395 Remote Similarity NPD3764 Approved
0.6392 Remote Similarity NPD1653 Approved
0.6391 Remote Similarity NPD2182 Approved
0.6391 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6387 Remote Similarity NPD3971 Phase 1
0.6385 Remote Similarity NPD1929 Approved
0.6385 Remote Similarity NPD1930 Approved
0.6385 Remote Similarity NPD1931 Clinical (unspecified phase)
0.6383 Remote Similarity NPD3496 Discontinued
0.6382 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6382 Remote Similarity NPD6004 Phase 3
0.6382 Remote Similarity NPD6002 Phase 3
0.6382 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6382 Remote Similarity NPD6005 Phase 3
0.6382 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6376 Remote Similarity NPD6355 Discontinued
0.637 Remote Similarity NPD969 Suspended
0.637 Remote Similarity NPD4908 Phase 1
0.6364 Remote Similarity NPD3750 Approved
0.6364 Remote Similarity NPD7003 Approved
0.6364 Remote Similarity NPD7982 Clinical (unspecified phase)
0.6364 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6352 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6352 Remote Similarity NPD6591 Clinical (unspecified phase)
0.6351 Remote Similarity NPD7715 Approved
0.6351 Remote Similarity NPD7714 Approved
0.6343 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6335 Remote Similarity NPD6801 Discontinued
0.6333 Remote Similarity NPD6653 Approved
0.6331 Remote Similarity NPD7610 Discontinued
0.6328 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6325 Remote Similarity NPD6232 Discontinued
0.6319 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6319 Remote Similarity NPD7768 Phase 2
0.6316 Remote Similarity NPD6100 Approved
0.6316 Remote Similarity NPD6099 Approved
0.6316 Remote Similarity NPD2438 Suspended
0.6312 Remote Similarity NPD6599 Discontinued
0.6312 Remote Similarity NPD2932 Approved
0.6309 Remote Similarity NPD2238 Phase 2
0.6309 Remote Similarity NPD1613 Approved
0.6309 Remote Similarity NPD3619 Clinical (unspecified phase)
0.6309 Remote Similarity NPD3620 Phase 2
0.6309 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6301 Remote Similarity NPD2861 Phase 2
0.6299 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6291 Remote Similarity NPD5886 Approved
0.6291 Remote Similarity NPD41 Approved
0.6284 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6276 Remote Similarity NPD2797 Approved
0.6258 Remote Similarity NPD5402 Approved
0.6258 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6258 Remote Similarity NPD4110 Phase 3
0.6258 Remote Similarity NPD8443 Clinical (unspecified phase)
0.625 Remote Similarity NPD8397 Clinical (unspecified phase)
0.625 Remote Similarity NPD3226 Approved
0.625 Remote Similarity NPD4749 Approved
0.625 Remote Similarity NPD5327 Phase 3
0.625 Remote Similarity NPD7876 Discontinued
0.625 Remote Similarity NPD7033 Discontinued
0.625 Remote Similarity NPD8297 Approved
0.6242 Remote Similarity NPD8032 Phase 2
0.6233 Remote Similarity NPD5740 Clinical (unspecified phase)
0.6233 Remote Similarity NPD6085 Phase 2
0.6232 Remote Similarity NPD690 Clinical (unspecified phase)
0.6226 Remote Similarity NPD5403 Approved
0.6224 Remote Similarity NPD422 Phase 1
0.6224 Remote Similarity NPD4806 Approved

Structure

External Identifiers

PubChem CID   10698948
ChEMBL   CHEMBL430558
ZINC  

Physicochemical Properties

Molecular Weight:  608.30
ALogP:  1.324
MLogP:  4.32
XLogP:  6.72
# Rotatable Bonds:  18
Polar Surface Area:  125.43
# H-Bond Aceptor:  9
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  44

Download Data

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Biological Activities  
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