Natural Product: NPC473423

Natural Product ID:  NPC473423
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C35H44O9
Standard InCHIKey:  OLBKUXNDAXKWQK-TYDIEVEDSA-N
Standard InCHI:  InChI=1S/C35H44O9/c1-19-26(39)18-25-31(41-21(3)36)30-20(2)27(44-28(40)15-14-24-12-10-9-11-13-24)16-17-35(30,8)33(43-23(5)38)32(42-22(4)37)29(19)34(25,6)7/h9-15,19,25,27,29-33H,2,16-18H2,1,3-8H3/b15-14+/t19-,25+,27+,29?,30?,31-,32-,33+,35-/m1/s1
Canonical SMILES:  CC(=O)O[C@H]1C2C(=C)[C@H](CC[C@@]2(C)[C@@H](OC(=O)C)[C@@H](C2C([C@H]1CC(=O)[C@H]2C)(C)C)OC(=O)C)OC(=O)/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
NPO33211 japanese yew Species NA NA PMID[9873389]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 > 10 ug/ml 18642892
NPT137 Cell Line L1210 Mus musculus IC50 = 5.8 ug/ml 18642892

  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 NPC473423 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
0.9583 High Similarity NPC469742
0.9431 High Similarity NPC195224
0.936 High Similarity NPC472361
0.9355 High Similarity NPC225103
0.928 High Similarity NPC472388
0.928 High Similarity NPC473443
0.9225 High Similarity NPC184109
0.9213 High Similarity NPC472437
0.9206 High Similarity NPC472418
0.9141 High Similarity NPC4242
0.9141 High Similarity NPC471911
0.9134 High Similarity NPC475493
0.9134 High Similarity NPC209851
0.9134 High Similarity NPC472394
0.8984 High Similarity NPC471880
0.8984 High Similarity NPC80599
0.8943 High Similarity NPC473749
0.8926 High Similarity NPC89324
0.8864 High Similarity NPC472371
0.8864 High Similarity NPC472395
0.8862 High Similarity NPC473439
0.8862 High Similarity NPC300827
0.8815 High Similarity NPC471912
0.8815 High Similarity NPC80895
0.8797 High Similarity NPC473440
0.875 High Similarity NPC277053
0.875 High Similarity NPC301946
0.872 High Similarity NPC12016
0.8667 High Similarity NPC475135
0.8661 High Similarity NPC473082
0.8657 High Similarity NPC475400
0.8651 High Similarity NPC472373
0.8583 High Similarity NPC471758
0.8583 High Similarity NPC473083
0.8571 High Similarity NPC472372
0.8571 High Similarity NPC472374
0.8516 High Similarity NPC470818
0.8516 High Similarity NPC45821
0.8496 Intermediate Similarity NPC477893
0.8394 Intermediate Similarity NPC63737
0.8387 Intermediate Similarity NPC152812
0.8358 Intermediate Similarity NPC291638
0.8358 Intermediate Similarity NPC17877
0.8358 Intermediate Similarity NPC66761
0.8358 Intermediate Similarity NPC195647
0.8358 Intermediate Similarity NPC472577
0.8358 Intermediate Similarity NPC477896
0.8346 Intermediate Similarity NPC70973
0.8345 Intermediate Similarity NPC127857
0.8345 Intermediate Similarity NPC471107
0.8345 Intermediate Similarity NPC471100
0.8333 Intermediate Similarity NPC477894
0.8321 Intermediate Similarity NPC93632
0.8284 Intermediate Similarity NPC474608
0.8268 Intermediate Similarity NPC311175
0.8268 Intermediate Similarity NPC37641
0.8264 Intermediate Similarity NPC21410
0.8264 Intermediate Similarity NPC473670
0.8261 Intermediate Similarity NPC34012
0.8261 Intermediate Similarity NPC182869
0.8258 Intermediate Similarity NPC147561
0.8248 Intermediate Similarity NPC473109
0.8248 Intermediate Similarity NPC43241
0.8248 Intermediate Similarity NPC473758
0.8248 Intermediate Similarity NPC476094
0.8248 Intermediate Similarity NPC473613
0.8248 Intermediate Similarity NPC211137
0.8248 Intermediate Similarity NPC184747
0.8248 Intermediate Similarity NPC473081
0.8248 Intermediate Similarity NPC48017
0.8248 Intermediate Similarity NPC473112
0.8248 Intermediate Similarity NPC473060
0.8248 Intermediate Similarity NPC473085
0.8248 Intermediate Similarity NPC4341
0.8248 Intermediate Similarity NPC200592
0.8248 Intermediate Similarity NPC147880
0.824 Intermediate Similarity NPC84129
0.8239 Intermediate Similarity NPC7095
0.8239 Intermediate Similarity NPC91730
0.8239 Intermediate Similarity NPC112216
0.8239 Intermediate Similarity NPC254558
0.8231 Intermediate Similarity NPC473110
0.8231 Intermediate Similarity NPC473111
0.8226 Intermediate Similarity NPC476476
0.8217 Intermediate Similarity NPC140118
0.8217 Intermediate Similarity NPC12881
0.8214 Intermediate Similarity NPC473541
0.8209 Intermediate Similarity NPC15850
0.8207 Intermediate Similarity NPC217091
0.8188 Intermediate Similarity NPC16912
0.8182 Intermediate Similarity NPC197037
0.8182 Intermediate Similarity NPC51602
0.8175 Intermediate Similarity NPC214550
0.8175 Intermediate Similarity NPC475652
0.8175 Intermediate Similarity NPC210591
0.8169 Intermediate Similarity NPC60509
0.8169 Intermediate Similarity NPC81698
0.8169 Intermediate Similarity NPC250046
0.8168 Intermediate Similarity NPC171007
0.8168 Intermediate Similarity NPC190849
0.8156 Intermediate Similarity NPC474935
0.8154 Intermediate Similarity NPC114927
0.8151 Intermediate Similarity NPC472393
0.8148 Intermediate Similarity NPC329913
0.8143 Intermediate Similarity NPC470231
0.8129 Intermediate Similarity NPC140021
0.8116 Intermediate Similarity NPC90614
0.8116 Intermediate Similarity NPC97667
0.8116 Intermediate Similarity NPC477904
0.8116 Intermediate Similarity NPC183270
0.8116 Intermediate Similarity NPC171207
0.8112 Intermediate Similarity NPC165260
0.8112 Intermediate Similarity NPC161239
0.8112 Intermediate Similarity NPC198455
0.8102 Intermediate Similarity NPC183122
0.8102 Intermediate Similarity NPC283375
0.8102 Intermediate Similarity NPC475373
0.8099 Intermediate Similarity NPC217918
0.8092 Intermediate Similarity NPC476970
0.8088 Intermediate Similarity NPC473216
0.8088 Intermediate Similarity NPC473399
0.8074 Intermediate Similarity NPC472656
0.8071 Intermediate Similarity NPC95449
0.8071 Intermediate Similarity NPC475429
0.8071 Intermediate Similarity NPC147217
0.8071 Intermediate Similarity NPC191082
0.8071 Intermediate Similarity NPC139067
0.8071 Intermediate Similarity NPC473673
0.8071 Intermediate Similarity NPC270498
0.8071 Intermediate Similarity NPC246480
0.8071 Intermediate Similarity NPC177340
0.8069 Intermediate Similarity NPC1173
0.8069 Intermediate Similarity NPC242262
0.8069 Intermediate Similarity NPC158333
0.8069 Intermediate Similarity NPC237549
0.8069 Intermediate Similarity NPC219419
0.8069 Intermediate Similarity NPC472005
0.8069 Intermediate Similarity NPC11588
0.8069 Intermediate Similarity NPC473414
0.8069 Intermediate Similarity NPC229545
0.8069 Intermediate Similarity NPC472030
0.8069 Intermediate Similarity NPC472022
0.8069 Intermediate Similarity NPC77719
0.8069 Intermediate Similarity NPC256142
0.8069 Intermediate Similarity NPC257213
0.8069 Intermediate Similarity NPC248265
0.8069 Intermediate Similarity NPC304876
0.8069 Intermediate Similarity NPC249471
0.8069 Intermediate Similarity NPC265395
0.8069 Intermediate Similarity NPC134685
0.806 Intermediate Similarity NPC476977
0.8058 Intermediate Similarity NPC472576
0.8058 Intermediate Similarity NPC87448
0.8058 Intermediate Similarity NPC118080
0.8058 Intermediate Similarity NPC291599
0.8058 Intermediate Similarity NPC27377
0.8058 Intermediate Similarity NPC41481
0.8058 Intermediate Similarity NPC97947
0.8056 Intermediate Similarity NPC306799
0.8056 Intermediate Similarity NPC471103
0.8056 Intermediate Similarity NPC101043
0.8031 Intermediate Similarity NPC473860
0.803 Intermediate Similarity NPC476972
0.803 Intermediate Similarity NPC476971
0.803 Intermediate Similarity NPC169913
0.8016 Intermediate Similarity NPC470820
0.8015 Intermediate Similarity NPC126516
0.8015 Intermediate Similarity NPC48929
0.8014 Intermediate Similarity NPC25768
0.8014 Intermediate Similarity NPC114410
0.8014 Intermediate Similarity NPC70716
0.8014 Intermediate Similarity NPC95810
0.8014 Intermediate Similarity NPC125106
0.8014 Intermediate Similarity NPC472569
0.8014 Intermediate Similarity NPC472570
0.8014 Intermediate Similarity NPC476974
0.8014 Intermediate Similarity NPC228204
0.8014 Intermediate Similarity NPC51314
0.8014 Intermediate Similarity NPC95265
0.8014 Intermediate Similarity NPC155329
0.8014 Intermediate Similarity NPC38696
0.8014 Intermediate Similarity NPC26033
0.8014 Intermediate Similarity NPC57628
0.8014 Intermediate Similarity NPC114357
0.8014 Intermediate Similarity NPC472573
0.8014 Intermediate Similarity NPC67777
0.8014 Intermediate Similarity NPC11685
0.8014 Intermediate Similarity NPC111466
0.8014 Intermediate Similarity NPC188865
0.8014 Intermediate Similarity NPC259144
0.8014 Intermediate Similarity NPC112523
0.8014 Intermediate Similarity NPC163719
0.8014 Intermediate Similarity NPC282239
0.8 Intermediate Similarity NPC472548
0.8 Intermediate Similarity NPC476976
0.8 Intermediate Similarity NPC477905
0.8 Intermediate Similarity NPC473869
0.7986 Intermediate Similarity NPC100913
0.7986 Intermediate Similarity NPC275592
0.7986 Intermediate Similarity NPC472547

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC473423 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
0.7698 Intermediate Similarity NPD7094 Approved
0.7698 Intermediate Similarity NPD6858 Approved
0.7554 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.7466 Intermediate Similarity NPD7236 Approved
0.7357 Intermediate Similarity NPD7961 Discontinued
0.7338 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD7239 Suspended
0.7329 Intermediate Similarity NPD8166 Discontinued
0.7323 Intermediate Similarity NPD2067 Discontinued
0.7295 Intermediate Similarity NPD7798 Approved
0.7284 Intermediate Similarity NPD8368 Discontinued
0.725 Intermediate Similarity NPD7799 Discontinued
0.7239 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.7185 Intermediate Similarity NPD7457 Clinical (unspecified phase)
0.7176 Intermediate Similarity NPD2629 Approved
0.7169 Intermediate Similarity NPD8424 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD8407 Phase 2
0.7132 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7121 Intermediate Similarity NPD4198 Discontinued
0.7109 Intermediate Similarity NPD2182 Approved
0.7103 Intermediate Similarity NPD7305 Phase 1
0.7095 Intermediate Similarity NPD4628 Phase 3
0.7083 Intermediate Similarity NPD8435 Approved
0.7083 Intermediate Similarity NPD8360 Approved
0.7083 Intermediate Similarity NPD8361 Approved
0.708 Intermediate Similarity NPD6637 Approved
0.7066 Intermediate Similarity NPD8434 Phase 2
0.7063 Intermediate Similarity NPD5909 Discontinued
0.7044 Intermediate Similarity NPD8127 Discontinued
0.6994 Remote Similarity NPD8470 Clinical (unspecified phase)
0.6993 Remote Similarity NPD8032 Phase 2
0.6992 Remote Similarity NPD3317 Approved
0.6984 Remote Similarity NPD6647 Phase 2
0.6972 Remote Similarity NPD7008 Discontinued
0.697 Remote Similarity NPD6010 Discontinued
0.6933 Remote Similarity NPD6190 Approved
0.6917 Remote Similarity NPD5951 Approved
0.6899 Remote Similarity NPD7058 Phase 2
0.6899 Remote Similarity NPD7057 Phase 3
0.6884 Remote Similarity NPD6287 Discontinued
0.688 Remote Similarity NPD2066 Phase 3
0.6875 Remote Similarity NPD6663 Approved
0.6875 Remote Similarity NPD5048 Discontinued
0.6839 Remote Similarity NPD8485 Approved
0.6839 Remote Similarity NPD7458 Discontinued
0.6838 Remote Similarity NPD7741 Discontinued
0.6831 Remote Similarity NPD5736 Approved
0.6818 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6805 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6797 Remote Similarity NPD164 Approved
0.6779 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6774 Remote Similarity NPD1989 Approved
0.6772 Remote Similarity NPD7819 Suspended
0.6765 Remote Similarity NPD7610 Discontinued
0.6761 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6748 Remote Similarity NPD5122 Clinical (unspecified phase)
0.6742 Remote Similarity NPD4141 Clinical (unspecified phase)
0.6723 Remote Similarity NPD8486 Clinical (unspecified phase)
0.6719 Remote Similarity NPD1931 Clinical (unspecified phase)
0.6719 Remote Similarity NPD1929 Approved
0.6719 Remote Similarity NPD1930 Approved
0.6718 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6711 Remote Similarity NPD2438 Suspended
0.6711 Remote Similarity NPD7274 Clinical (unspecified phase)
0.6692 Remote Similarity NPD6685 Approved
0.669 Remote Similarity NPD3764 Approved
0.6689 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7055 Discontinued
0.6667 Remote Similarity NPD3025 Approved
0.6667 Remote Similarity NPD8150 Discontinued
0.6667 Remote Similarity NPD7473 Discontinued
0.6667 Remote Similarity NPD3024 Approved
0.6645 Remote Similarity NPD6273 Approved
0.6644 Remote Similarity NPD7713 Phase 3
0.6642 Remote Similarity NPD6065 Approved
0.6639 Remote Similarity NPD3672 Approved
0.6639 Remote Similarity NPD3673 Approved
0.6624 Remote Similarity NPD3226 Approved
0.6619 Remote Similarity NPD17 Approved
0.6619 Remote Similarity NPD5125 Phase 3
0.6619 Remote Similarity NPD5126 Approved
0.6619 Remote Similarity NPD7163 Clinical (unspecified phase)
0.6614 Remote Similarity NPD1238 Approved
0.6605 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6604 Remote Similarity NPD37 Approved
0.6603 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6599 Remote Similarity NPD2979 Phase 3
0.6596 Remote Similarity NPD3972 Approved
0.6587 Remote Similarity NPD3495 Discontinued
0.6584 Remote Similarity NPD4967 Phase 2
0.6584 Remote Similarity NPD4966 Approved
0.6584 Remote Similarity NPD4965 Approved
0.6582 Remote Similarity NPD6599 Discontinued
0.6581 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6581 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6571 Remote Similarity NPD3023 Approved
0.6571 Remote Similarity NPD3026 Approved
0.6562 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6544 Remote Similarity NPD690 Clinical (unspecified phase)
0.6543 Remote Similarity NPD7075 Discontinued
0.6536 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6535 Remote Similarity NPD5926 Approved
0.6516 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6514 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6512 Remote Similarity NPD1932 Approved
0.6503 Remote Similarity NPD6234 Discontinued
0.65 Remote Similarity NPD3019 Approved
0.6494 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6491 Remote Similarity NPD8312 Approved
0.6491 Remote Similarity NPD8313 Approved
0.6488 Remote Similarity NPD5844 Phase 1
0.6485 Remote Similarity NPD6232 Discontinued
0.6483 Remote Similarity NPD7084 Phase 3
0.6481 Remote Similarity NPD4868 Clinical (unspecified phase)
0.648 Remote Similarity NPD7901 Clinical (unspecified phase)
0.648 Remote Similarity NPD7900 Approved
0.6479 Remote Similarity NPD1608 Approved
0.6475 Remote Similarity NPD9545 Approved
0.6467 Remote Similarity NPD7097 Phase 1
0.6466 Remote Similarity NPD2329 Discontinued
0.6463 Remote Similarity NPD5494 Approved
0.6462 Remote Similarity NPD5765 Approved
0.6447 Remote Similarity NPD2346 Discontinued
0.6447 Remote Similarity NPD7266 Discontinued
0.6444 Remote Similarity NPD6912 Phase 3
0.6443 Remote Similarity NPD6355 Discontinued
0.6438 Remote Similarity NPD6386 Approved
0.6438 Remote Similarity NPD6385 Approved
0.6429 Remote Similarity NPD5585 Approved
0.6429 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6429 Remote Similarity NPD4110 Phase 3
0.6429 Remote Similarity NPD7003 Approved
0.642 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6419 Remote Similarity NPD7715 Approved
0.6419 Remote Similarity NPD7714 Approved
0.6415 Remote Similarity NPD6591 Clinical (unspecified phase)
0.6414 Remote Similarity NPD6085 Phase 2
0.6414 Remote Similarity NPD5740 Clinical (unspecified phase)
0.6408 Remote Similarity NPD1281 Approved
0.6406 Remote Similarity NPD7638 Approved
0.64 Remote Similarity NPD7631 Approved
0.64 Remote Similarity NPD1088 Approved
0.6398 Remote Similarity NPD6801 Discontinued
0.6395 Remote Similarity NPD7095 Approved
0.6393 Remote Similarity NPD1087 Approved
0.6391 Remote Similarity NPD6686 Approved
0.6389 Remote Similarity NPD5667 Approved
0.6383 Remote Similarity NPD2932 Approved
0.6382 Remote Similarity NPD6099 Approved
0.6382 Remote Similarity NPD6100 Approved
0.6382 Remote Similarity NPD2796 Approved
0.6376 Remote Similarity NPD4140 Approved
0.6375 Remote Similarity NPD4380 Phase 2
0.6374 Remote Similarity NPD6765 Approved
0.6374 Remote Similarity NPD6764 Approved
0.6364 Remote Similarity NPD6008 Approved
0.6358 Remote Similarity NPD8455 Phase 2
0.6358 Remote Similarity NPD5761 Phase 2
0.6358 Remote Similarity NPD5760 Phase 2
0.6357 Remote Similarity NPD7640 Approved
0.6357 Remote Similarity NPD7639 Approved
0.6351 Remote Similarity NPD6798 Discontinued
0.6351 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6346 Remote Similarity NPD6652 Clinical (unspecified phase)
0.6345 Remote Similarity NPD3267 Approved
0.6345 Remote Similarity NPD3266 Approved
0.6336 Remote Similarity NPD5738 Clinical (unspecified phase)
0.6335 Remote Similarity NPD7411 Suspended
0.6333 Remote Similarity NPD230 Phase 1
0.6331 Remote Similarity NPD7228 Approved
0.6329 Remote Similarity NPD7314 Clinical (unspecified phase)
0.6328 Remote Similarity NPD7902 Approved
0.6324 Remote Similarity NPD8297 Approved
0.632 Remote Similarity NPD7609 Phase 3
0.6319 Remote Similarity NPD3817 Phase 2
0.6319 Remote Similarity NPD5327 Phase 3
0.6316 Remote Similarity NPD2799 Discontinued
0.6316 Remote Similarity NPD3748 Approved
0.6316 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6312 Remote Similarity NPD5691 Approved
0.6312 Remote Similarity NPD1651 Approved
0.6309 Remote Similarity NPD6233 Phase 2
0.6306 Remote Similarity NPD6799 Approved
0.6304 Remote Similarity NPD4766 Approved
0.6299 Remote Similarity NPD6048 Clinical (unspecified phase)
0.6299 Remote Similarity NPD1693 Approved
0.6299 Remote Similarity NPD6049 Phase 2
0.6296 Remote Similarity NPD4233 Approved
0.6296 Remote Similarity NPD3646 Clinical (unspecified phase)
0.6296 Remote Similarity NPD4234 Approved
0.6294 Remote Similarity NPD4807 Approved
0.6294 Remote Similarity NPD4806 Approved
0.6287 Remote Similarity NPD7229 Phase 3
0.6282 Remote Similarity NPD3887 Approved
0.6279 Remote Similarity NPD7685 Pre-registration
0.6276 Remote Similarity NPD1283 Approved
0.6275 Remote Similarity NPD2531 Phase 2
0.6268 Remote Similarity NPD5305 Approved
0.6268 Remote Similarity NPD5306 Approved
0.6266 Remote Similarity NPD2533 Approved

Structure

External Identifiers

PubChem CID   44286763
ChEMBL   CHEMBL42798
ZINC  

Physicochemical Properties

Molecular Weight:  608.30
ALogP:  0.892
MLogP:  4.32
XLogP:  7.275
# Rotatable Bonds:  17
Polar Surface Area:  122.27
# H-Bond Aceptor:  9
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  44

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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