Natural Product: NPC63737

Natural Product ID:  NPC63737
Common Name:   n.a.
IUPAC Name:  
Synonyms:   1-Hydroxy Taxuspine C
Molecular Formula:   C35H42O10
Standard InCHIKey:  XQLJYGLHZIUECS-GLESJUERSA-N
Standard InCHI:  InChI=1S/C35H42O10/c1-19-25(39)18-33(41)30(44-23(5)38)35-20(2)26(45-27(40)15-14-24-12-10-9-11-13-24)16-17-32(35,8)28(42-21(3)36)29(43-22(4)37)34(19,35)31(33,6)7/h9-15,19,26,28-30,41H,2,16-18H2,1,3-8H3/b15-14+/t19-,26+,28+,29+,30-,32+,33-,34-,35-/m1/s1
Canonical SMILES:  O=C(O[C@H]1CC[C@@]2([C@@]3(C1=C)[C@H](OC(=O)C)[C@]1(C([C@@]3([C@H](C)C(=O)C1)[C@H]([C@@H]2OC(=O)C)OC(=O)C)(C)C)O)C)/C=C/c1ccccc1
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 = 204 % 19128055

  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 NPC63737 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
0.9412 High Similarity NPC473440
0.9185 High Similarity NPC4242
0.9185 High Similarity NPC471911
0.8897 High Similarity NPC209851
0.8732 High Similarity NPC475135
0.8613 High Similarity NPC473443
0.8611 High Similarity NPC471912
0.8611 High Similarity NPC80895
0.8552 High Similarity NPC301946
0.8552 High Similarity NPC277053
0.854 High Similarity NPC225103
0.8497 Intermediate Similarity NPC55744
0.8489 Intermediate Similarity NPC80599
0.8478 Intermediate Similarity NPC472388
0.8425 Intermediate Similarity NPC471162
0.8411 Intermediate Similarity NPC70344
0.8394 Intermediate Similarity NPC473423
0.8344 Intermediate Similarity NPC471176
0.8333 Intermediate Similarity NPC195224
0.8322 Intermediate Similarity NPC184109
0.8311 Intermediate Similarity NPC205389
0.8309 Intermediate Similarity NPC469742
0.8299 Intermediate Similarity NPC127857
0.8288 Intermediate Similarity NPC45307
0.8286 Intermediate Similarity NPC472418
0.8267 Intermediate Similarity NPC51602
0.8258 Intermediate Similarity NPC475536
0.8258 Intermediate Similarity NPC165234
0.8243 Intermediate Similarity NPC478263
0.8224 Intermediate Similarity NPC469456
0.8212 Intermediate Similarity NPC472548
0.8205 Intermediate Similarity NPC475505
0.8205 Intermediate Similarity NPC475464
0.8205 Intermediate Similarity NPC473641
0.8205 Intermediate Similarity NPC475300
0.8205 Intermediate Similarity NPC475437
0.8205 Intermediate Similarity NPC473797
0.82 Intermediate Similarity NPC25484
0.82 Intermediate Similarity NPC112216
0.82 Intermediate Similarity NPC91730
0.82 Intermediate Similarity NPC7095
0.82 Intermediate Similarity NPC125033
0.82 Intermediate Similarity NPC232583
0.8176 Intermediate Similarity NPC478264
0.8169 Intermediate Similarity NPC15850
0.8151 Intermediate Similarity NPC187566
0.8151 Intermediate Similarity NPC475413
0.8151 Intermediate Similarity NPC325078
0.8151 Intermediate Similarity NPC473497
0.8151 Intermediate Similarity NPC474303
0.8151 Intermediate Similarity NPC242355
0.8146 Intermediate Similarity NPC197037
0.8146 Intermediate Similarity NPC101043
0.8146 Intermediate Similarity NPC306799
0.8146 Intermediate Similarity NPC471103
0.8133 Intermediate Similarity NPC60509
0.8133 Intermediate Similarity NPC81698
0.8133 Intermediate Similarity NPC250046
0.8121 Intermediate Similarity NPC170668
0.8121 Intermediate Similarity NPC312393
0.8105 Intermediate Similarity NPC282239
0.8105 Intermediate Similarity NPC473670
0.8105 Intermediate Similarity NPC21410
0.8105 Intermediate Similarity NPC472549
0.8102 Intermediate Similarity NPC12016
0.8101 Intermediate Similarity NPC325732
0.8101 Intermediate Similarity NPC324769
0.8095 Intermediate Similarity NPC140021
0.8092 Intermediate Similarity NPC477905
0.8085 Intermediate Similarity NPC475138
0.8082 Intermediate Similarity NPC472547
0.8079 Intermediate Similarity NPC165260
0.8079 Intermediate Similarity NPC198455
0.8079 Intermediate Similarity NPC161239
0.8067 Intermediate Similarity NPC327031
0.8067 Intermediate Similarity NPC217918
0.8065 Intermediate Similarity NPC49297
0.8052 Intermediate Similarity NPC154675
0.8052 Intermediate Similarity NPC106895
0.8052 Intermediate Similarity NPC217091
0.8052 Intermediate Similarity NPC11410
0.8043 Intermediate Similarity NPC472373
0.8041 Intermediate Similarity NPC191387
0.8041 Intermediate Similarity NPC95449
0.8041 Intermediate Similarity NPC131966
0.8039 Intermediate Similarity NPC472022
0.8039 Intermediate Similarity NPC77719
0.8039 Intermediate Similarity NPC257213
0.8039 Intermediate Similarity NPC256142
0.8039 Intermediate Similarity NPC477100
0.8039 Intermediate Similarity NPC304876
0.8039 Intermediate Similarity NPC248265
0.8039 Intermediate Similarity NPC1173
0.8039 Intermediate Similarity NPC242262
0.8039 Intermediate Similarity NPC477098
0.8039 Intermediate Similarity NPC249471
0.8039 Intermediate Similarity NPC134685
0.8039 Intermediate Similarity NPC471135
0.8039 Intermediate Similarity NPC237549
0.8039 Intermediate Similarity NPC158333
0.8039 Intermediate Similarity NPC219419
0.8039 Intermediate Similarity NPC11588
0.8039 Intermediate Similarity NPC472005
0.8039 Intermediate Similarity NPC473414
0.8039 Intermediate Similarity NPC472030
0.8039 Intermediate Similarity NPC229545
0.8039 Intermediate Similarity NPC265395
0.8028 Intermediate Similarity NPC472361
0.8027 Intermediate Similarity NPC16912
0.8014 Intermediate Similarity NPC93632
0.8014 Intermediate Similarity NPC325805
0.8014 Intermediate Similarity NPC272523
0.8014 Intermediate Similarity NPC473301
0.8013 Intermediate Similarity NPC76103
0.8 Intermediate Similarity NPC472545
0.8 Intermediate Similarity NPC472372
0.8 Intermediate Similarity NPC473602
0.8 Intermediate Similarity NPC472393
0.8 Intermediate Similarity NPC472551
0.8 Intermediate Similarity NPC181924
0.8 Intermediate Similarity NPC472374
0.8 Intermediate Similarity NPC40138
0.7987 Intermediate Similarity NPC26033
0.7987 Intermediate Similarity NPC155329
0.7987 Intermediate Similarity NPC112523
0.7987 Intermediate Similarity NPC251139
0.7987 Intermediate Similarity NPC473611
0.7987 Intermediate Similarity NPC477491
0.7987 Intermediate Similarity NPC228204
0.7987 Intermediate Similarity NPC259144
0.7987 Intermediate Similarity NPC114410
0.7987 Intermediate Similarity NPC114357
0.7986 Intermediate Similarity NPC203486
0.7986 Intermediate Similarity NPC329913
0.7986 Intermediate Similarity NPC153617
0.7986 Intermediate Similarity NPC471758
0.7986 Intermediate Similarity NPC284022
0.7975 Intermediate Similarity NPC478073
0.7973 Intermediate Similarity NPC192658
0.7973 Intermediate Similarity NPC34012
0.7973 Intermediate Similarity NPC472546
0.7972 Intermediate Similarity NPC475493
0.7972 Intermediate Similarity NPC233860
0.7972 Intermediate Similarity NPC472394
0.7961 Intermediate Similarity NPC477101
0.7961 Intermediate Similarity NPC476173
0.7961 Intermediate Similarity NPC475417
0.7961 Intermediate Similarity NPC477099
0.7961 Intermediate Similarity NPC477097
0.7961 Intermediate Similarity NPC475561
0.7959 Intermediate Similarity NPC183270
0.7959 Intermediate Similarity NPC79921
0.7959 Intermediate Similarity NPC475660
0.7959 Intermediate Similarity NPC477904
0.7959 Intermediate Similarity NPC97667
0.7959 Intermediate Similarity NPC171207
0.7949 Intermediate Similarity NPC476784
0.7949 Intermediate Similarity NPC471102
0.7945 Intermediate Similarity NPC39549
0.7945 Intermediate Similarity NPC86772
0.7943 Intermediate Similarity NPC58061
0.7935 Intermediate Similarity NPC326235
0.7935 Intermediate Similarity NPC290683
0.7935 Intermediate Similarity NPC323001
0.7935 Intermediate Similarity NPC475638
0.7935 Intermediate Similarity NPC475548
0.7933 Intermediate Similarity NPC471107
0.7933 Intermediate Similarity NPC471100
0.7931 Intermediate Similarity NPC200154
0.7931 Intermediate Similarity NPC477896
0.7931 Intermediate Similarity NPC477893
0.7929 Intermediate Similarity NPC470818
0.7929 Intermediate Similarity NPC473082
0.7929 Intermediate Similarity NPC476970
0.7929 Intermediate Similarity NPC45821
0.7922 Intermediate Similarity NPC472658
0.7922 Intermediate Similarity NPC69425
0.7922 Intermediate Similarity NPC472657
0.7919 Intermediate Similarity NPC153214
0.7919 Intermediate Similarity NPC82467
0.7919 Intermediate Similarity NPC477894
0.7917 Intermediate Similarity NPC472437
0.7917 Intermediate Similarity NPC472248
0.7917 Intermediate Similarity NPC144257
0.7914 Intermediate Similarity NPC12881
0.7914 Intermediate Similarity NPC140118
0.7911 Intermediate Similarity NPC477190
0.7911 Intermediate Similarity NPC477188
0.7911 Intermediate Similarity NPC275477
0.7911 Intermediate Similarity NPC43304
0.7908 Intermediate Similarity NPC62792
0.7908 Intermediate Similarity NPC472398
0.7908 Intermediate Similarity NPC329657
0.7908 Intermediate Similarity NPC96308
0.7905 Intermediate Similarity NPC291599
0.7905 Intermediate Similarity NPC213567
0.7905 Intermediate Similarity NPC224491
0.7905 Intermediate Similarity NPC118080
0.7905 Intermediate Similarity NPC87448
0.7905 Intermediate Similarity NPC41481

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC63737 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
0.8125 Intermediate Similarity NPD7799 Discontinued
0.7933 Intermediate Similarity NPD7236 Approved
0.7792 Intermediate Similarity NPD7239 Suspended
0.7671 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.7447 Intermediate Similarity NPD7457 Clinical (unspecified phase)
0.7426 Intermediate Similarity NPD7094 Approved
0.7426 Intermediate Similarity NPD6858 Approved
0.7365 Intermediate Similarity NPD7961 Discontinued
0.7357 Intermediate Similarity NPD6319 Approved
0.7346 Intermediate Similarity NPD7058 Phase 2
0.7346 Intermediate Similarity NPD7057 Phase 3
0.7294 Intermediate Similarity NPD8368 Discontinued
0.7267 Intermediate Similarity NPD8407 Phase 2
0.7184 Intermediate Similarity NPD8434 Phase 2
0.7172 Intermediate Similarity NPD7078 Approved
0.7153 Intermediate Similarity NPD7492 Approved
0.7143 Intermediate Similarity NPD7115 Discovery
0.7133 Intermediate Similarity NPD6663 Approved
0.7123 Intermediate Similarity NPD7736 Approved
0.7113 Intermediate Similarity NPD6054 Approved
0.7103 Intermediate Similarity NPD6616 Approved
0.7101 Intermediate Similarity NPD8297 Approved
0.7075 Intermediate Similarity NPD7319 Approved
0.7066 Intermediate Similarity NPD8127 Discontinued
0.705 Intermediate Similarity NPD4632 Approved
0.7029 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.7014 Intermediate Similarity NPD6370 Approved
0.7012 Intermediate Similarity NPD5761 Phase 2
0.7012 Intermediate Similarity NPD5760 Phase 2
0.7006 Intermediate Similarity NPD8435 Approved
0.7006 Intermediate Similarity NPD8166 Discontinued
0.7006 Intermediate Similarity NPD8361 Approved
0.7006 Intermediate Similarity NPD8360 Approved
0.6994 Remote Similarity NPD6765 Approved
0.6994 Remote Similarity NPD6764 Approved
0.6986 Remote Similarity NPD7507 Approved
0.6944 Remote Similarity NPD6015 Approved
0.6944 Remote Similarity NPD6016 Approved
0.6939 Remote Similarity NPD8293 Discontinued
0.6933 Remote Similarity NPD7055 Discontinued
0.6912 Remote Similarity NPD6008 Approved
0.6906 Remote Similarity NPD6650 Approved
0.6906 Remote Similarity NPD6649 Approved
0.6897 Remote Similarity NPD5988 Approved
0.6893 Remote Similarity NPD8424 Clinical (unspecified phase)
0.6887 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6879 Remote Similarity NPD6010 Discontinued
0.6875 Remote Similarity NPD6059 Approved
0.6875 Remote Similarity NPD7741 Discontinued
0.6867 Remote Similarity NPD5736 Approved
0.6861 Remote Similarity NPD6685 Approved
0.6836 Remote Similarity NPD6784 Approved
0.6836 Remote Similarity NPD6785 Approved
0.6835 Remote Similarity NPD4634 Approved
0.6831 Remote Similarity NPD2629 Approved
0.6821 Remote Similarity NPD8470 Clinical (unspecified phase)
0.6812 Remote Similarity NPD7320 Approved
0.6812 Remote Similarity NPD6899 Approved
0.6812 Remote Similarity NPD6881 Approved
0.6806 Remote Similarity NPD7610 Discontinued
0.68 Remote Similarity NPD6085 Phase 2
0.68 Remote Similarity NPD7685 Pre-registration
0.68 Remote Similarity NPD5740 Clinical (unspecified phase)
0.6798 Remote Similarity NPD8150 Discontinued
0.6795 Remote Similarity NPD7305 Phase 1
0.6792 Remote Similarity NPD4628 Phase 3
0.6786 Remote Similarity NPD8130 Phase 1
0.6783 Remote Similarity NPD6009 Approved
0.6783 Remote Similarity NPD4198 Discontinued
0.6776 Remote Similarity NPD8485 Approved
0.6763 Remote Similarity NPD6373 Approved
0.6763 Remote Similarity NPD6372 Approved
0.6759 Remote Similarity NPD7009 Phase 2
0.6755 Remote Similarity NPD7084 Phase 3
0.675 Remote Similarity NPD7274 Clinical (unspecified phase)
0.6746 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6739 Remote Similarity NPD5697 Approved
0.6738 Remote Similarity NPD7497 Discontinued
0.6738 Remote Similarity NPD6882 Approved
0.6735 Remote Similarity NPD7604 Phase 2
0.6727 Remote Similarity NPD7028 Phase 2
0.6714 Remote Similarity NPD7102 Approved
0.6714 Remote Similarity NPD6883 Approved
0.6714 Remote Similarity NPD7290 Approved
0.6712 Remote Similarity NPD7503 Approved
0.6712 Remote Similarity NPD5983 Phase 2
0.6709 Remote Similarity NPD5762 Approved
0.6709 Remote Similarity NPD5763 Approved
0.6707 Remote Similarity NPD7819 Suspended
0.6691 Remote Similarity NPD6011 Approved
0.6687 Remote Similarity NPD6273 Approved
0.6667 Remote Similarity NPD8486 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5739 Approved
0.6667 Remote Similarity NPD4141 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6402 Approved
0.6667 Remote Similarity NPD6675 Approved
0.6667 Remote Similarity NPD6869 Approved
0.6667 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6847 Approved
0.6667 Remote Similarity NPD5048 Discontinued
0.6667 Remote Similarity NPD7128 Approved
0.6667 Remote Similarity NPD3317 Approved
0.6667 Remote Similarity NPD6617 Approved
0.6646 Remote Similarity NPD6190 Approved
0.6644 Remote Similarity NPD6336 Discontinued
0.6643 Remote Similarity NPD6013 Approved
0.6643 Remote Similarity NPD6012 Approved
0.6643 Remote Similarity NPD6014 Approved
0.6642 Remote Similarity NPD6647 Phase 2
0.6642 Remote Similarity NPD5765 Approved
0.6626 Remote Similarity NPD8389 Clinical (unspecified phase)
0.662 Remote Similarity NPD6053 Discontinued
0.662 Remote Similarity NPD6912 Phase 3
0.6607 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6603 Remote Similarity NPD5735 Approved
0.6599 Remote Similarity NPD8033 Approved
0.6596 Remote Similarity NPD2067 Discontinued
0.6593 Remote Similarity NPD7638 Approved
0.6588 Remote Similarity NPD7075 Discontinued
0.6557 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6556 Remote Similarity NPD6033 Approved
0.6546 Remote Similarity NPD8462 Phase 1
0.6544 Remote Similarity NPD7640 Approved
0.6544 Remote Similarity NPD7639 Approved
0.6538 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6536 Remote Similarity NPD7260 Phase 2
0.6531 Remote Similarity NPD8294 Approved
0.6531 Remote Similarity NPD8377 Approved
0.6527 Remote Similarity NPD6599 Discontinued
0.6522 Remote Similarity NPD5738 Clinical (unspecified phase)
0.6514 Remote Similarity NPD7473 Discontinued
0.6507 Remote Similarity NPD7328 Approved
0.6507 Remote Similarity NPD7327 Approved
0.65 Remote Similarity NPD6005 Phase 3
0.65 Remote Similarity NPD6003 Clinical (unspecified phase)
0.65 Remote Similarity NPD6004 Phase 3
0.65 Remote Similarity NPD6006 Clinical (unspecified phase)
0.65 Remote Similarity NPD5701 Approved
0.65 Remote Similarity NPD6002 Phase 3
0.65 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6497 Remote Similarity NPD6355 Discontinued
0.6486 Remote Similarity NPD8513 Phase 3
0.6486 Remote Similarity NPD8517 Approved
0.6486 Remote Similarity NPD8515 Approved
0.6486 Remote Similarity NPD8380 Approved
0.6486 Remote Similarity NPD8296 Approved
0.6486 Remote Similarity NPD8378 Approved
0.6486 Remote Similarity NPD8379 Approved
0.6486 Remote Similarity NPD8516 Approved
0.6486 Remote Similarity NPD8335 Approved
0.6481 Remote Similarity NPD6398 Clinical (unspecified phase)
0.648 Remote Similarity NPD8658 Clinical (unspecified phase)
0.6475 Remote Similarity NPD5909 Discontinued
0.6474 Remote Similarity NPD7199 Phase 2
0.6474 Remote Similarity NPD8032 Phase 2
0.6471 Remote Similarity NPD5647 Approved
0.6467 Remote Similarity NPD7458 Discontinued
0.6467 Remote Similarity NPD3226 Approved
0.6463 Remote Similarity NPD7516 Approved
0.6454 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6453 Remote Similarity NPD6234 Discontinued
0.6452 Remote Similarity NPD7008 Discontinued
0.6449 Remote Similarity NPD5211 Phase 2
0.6444 Remote Similarity NPD8312 Approved
0.6444 Remote Similarity NPD8313 Approved
0.6443 Remote Similarity NPD5126 Approved
0.6443 Remote Similarity NPD5125 Phase 3
0.6443 Remote Similarity NPD2932 Approved
0.6434 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6434 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6433 Remote Similarity NPD4140 Approved
0.6433 Remote Similarity NPD4966 Approved
0.6433 Remote Similarity NPD4967 Phase 2
0.6433 Remote Similarity NPD4965 Approved
0.6429 Remote Similarity NPD4380 Phase 2
0.6424 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6424 Remote Similarity NPD6637 Approved
0.6423 Remote Similarity NPD5285 Approved
0.6423 Remote Similarity NPD2066 Phase 3
0.6423 Remote Similarity NPD5286 Approved
0.6423 Remote Similarity NPD4696 Approved
0.6418 Remote Similarity NPD5122 Clinical (unspecified phase)
0.641 Remote Similarity NPD3764 Approved
0.6408 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6405 Remote Similarity NPD3094 Phase 2
0.64 Remote Similarity NPD7184 Clinical (unspecified phase)
0.64 Remote Similarity NPD8328 Phase 3
0.6398 Remote Similarity NPD2346 Discontinued
0.6395 Remote Similarity NPD6335 Approved
0.6389 Remote Similarity NPD7962 Phase 2
0.6377 Remote Similarity NPD5223 Approved
0.6376 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6375 Remote Similarity NPD7033 Discontinued
0.637 Remote Similarity NPD690 Clinical (unspecified phase)
0.637 Remote Similarity NPD5951 Approved
0.6364 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6364 Remote Similarity NPD6371 Approved
0.6358 Remote Similarity NPD3092 Approved
0.6357 Remote Similarity NPD5141 Approved

Structure

External Identifiers

PubChem CID   15923424
ChEMBL   CHEMBL502917
ZINC  

Physicochemical Properties

Molecular Weight:  622.28
ALogP:  1.0863
MLogP:  4.21
XLogP:  3.466
# Rotatable Bonds:  18
Polar Surface Area:  142.5
# H-Bond Aceptor:  10
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  45

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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