Natural Product: NPC472371

Natural Product ID:  NPC472371
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C45H46O9
Standard InCHIKey:  KURXDGPSTHUACW-OLZAGMJFSA-N
Standard InCHI:  InChI=1S/C45H46O9/c1-27-34(47)26-33-39(51-29(3)46)38-28(2)35(52-36(48)23-22-30-16-10-7-11-17-30)24-25-45(38,6)41(54-43(50)32-20-14-9-15-21-32)40(37(27)44(33,4)5)53-42(49)31-18-12-8-13-19-31/h7-23,33,35,38-41H,2,24-26H2,1,3-6H3/b23-22+/t33-,35-,38-,39+,40+,41-,45+/m0/s1
Canonical SMILES:  O=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)c2ccccc2)OC(=O)c2ccccc2)C1(C)C)C)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 = 28 % 20028081

  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 NPC472371 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
1.0 High Similarity NPC472395
0.9538 High Similarity NPC472394
0.9462 High Similarity NPC472361
0.9333 High Similarity NPC475400
0.9318 High Similarity NPC472437
0.8993 High Similarity NPC177340
0.8993 High Similarity NPC139067
0.8993 High Similarity NPC475429
0.8993 High Similarity NPC270498
0.8993 High Similarity NPC191082
0.8993 High Similarity NPC473673
0.8993 High Similarity NPC246480
0.8993 High Similarity NPC147217
0.8971 High Similarity NPC472372
0.8971 High Similarity NPC472374
0.8955 High Similarity NPC471880
0.8929 High Similarity NPC51314
0.8929 High Similarity NPC67777
0.8923 High Similarity NPC469742
0.8913 High Similarity NPC473112
0.8913 High Similarity NPC211137
0.8913 High Similarity NPC476094
0.8913 High Similarity NPC200592
0.8913 High Similarity NPC473613
0.8913 High Similarity NPC147880
0.8913 High Similarity NPC473060
0.8913 High Similarity NPC473109
0.8913 High Similarity NPC48017
0.8913 High Similarity NPC43241
0.8913 High Similarity NPC473758
0.8913 High Similarity NPC473081
0.8913 High Similarity NPC473085
0.8913 High Similarity NPC4341
0.8913 High Similarity NPC184747
0.8864 High Similarity NPC473423
0.8841 High Similarity NPC475652
0.8841 High Similarity NPC210591
0.8841 High Similarity NPC214550
0.8815 High Similarity NPC475493
0.8803 High Similarity NPC474935
0.8797 High Similarity NPC195224
0.8794 High Similarity NPC470231
0.8768 High Similarity NPC183122
0.8768 High Similarity NPC283375
0.8741 High Similarity NPC281717
0.8731 High Similarity NPC225103
0.8681 High Similarity NPC301556
0.8681 High Similarity NPC270590
0.8681 High Similarity NPC92293
0.8681 High Similarity NPC266265
0.8681 High Similarity NPC471101
0.8667 High Similarity NPC473443
0.8667 High Similarity NPC472388
0.8662 High Similarity NPC472570
0.8662 High Similarity NPC188865
0.8662 High Similarity NPC70716
0.8662 High Similarity NPC472569
0.8662 High Similarity NPC472573
0.8662 High Similarity NPC95265
0.8662 High Similarity NPC25768
0.8662 High Similarity NPC11685
0.8662 High Similarity NPC163719
0.8662 High Similarity NPC125106
0.8662 High Similarity NPC57628
0.8662 High Similarity NPC95810
0.8662 High Similarity NPC476974
0.8652 High Similarity NPC475135
0.8652 High Similarity NPC34012
0.8643 High Similarity NPC477904
0.8643 High Similarity NPC183270
0.8633 High Similarity NPC475373
0.8626 High Similarity NPC473749
0.8623 High Similarity NPC17877
0.8623 High Similarity NPC195647
0.8623 High Similarity NPC291638
0.8623 High Similarity NPC66761
0.8623 High Similarity NPC472577
0.8621 High Similarity NPC254558
0.8603 High Similarity NPC472418
0.8601 High Similarity NPC471104
0.8601 High Similarity NPC184817
0.8601 High Similarity NPC70403
0.8601 High Similarity NPC470159
0.8601 High Similarity NPC158663
0.8601 High Similarity NPC96903
0.8601 High Similarity NPC29704
0.8601 High Similarity NPC174982
0.8601 High Similarity NPC472571
0.8601 High Similarity NPC177940
0.8601 High Similarity NPC200471
0.8601 High Similarity NPC476973
0.8601 High Similarity NPC469349
0.8601 High Similarity NPC472568
0.8601 High Similarity NPC472575
0.8601 High Similarity NPC473088
0.8601 High Similarity NPC472556
0.8601 High Similarity NPC470157
0.8601 High Similarity NPC171525
0.8601 High Similarity NPC472572
0.8592 High Similarity NPC163087
0.8592 High Similarity NPC477468
0.8582 High Similarity NPC224491
0.8581 High Similarity NPC217091
0.8571 High Similarity NPC237549
0.8571 High Similarity NPC265395
0.8571 High Similarity NPC304876
0.8571 High Similarity NPC77719
0.8571 High Similarity NPC249471
0.8571 High Similarity NPC256142
0.8571 High Similarity NPC473414
0.8571 High Similarity NPC1173
0.8571 High Similarity NPC472030
0.8571 High Similarity NPC472022
0.8571 High Similarity NPC257213
0.8571 High Similarity NPC472005
0.8571 High Similarity NPC242262
0.8571 High Similarity NPC158333
0.8551 High Similarity NPC48929
0.8551 High Similarity NPC474608
0.854 High Similarity NPC209851
0.8531 High Similarity NPC475122
0.8531 High Similarity NPC241951
0.8531 High Similarity NPC470152
0.8531 High Similarity NPC475759
0.8529 High Similarity NPC147561
0.8523 High Similarity NPC472393
0.8514 High Similarity NPC114410
0.8514 High Similarity NPC26033
0.8514 High Similarity NPC228204
0.8514 High Similarity NPC112523
0.8503 High Similarity NPC477905
0.8503 High Similarity NPC472548
0.8493 Intermediate Similarity NPC473214
0.8493 Intermediate Similarity NPC7095
0.8493 Intermediate Similarity NPC470245
0.8493 Intermediate Similarity NPC112216
0.8489 Intermediate Similarity NPC477893
0.8489 Intermediate Similarity NPC473399
0.8489 Intermediate Similarity NPC473216
0.8483 Intermediate Similarity NPC217918
0.8467 Intermediate Similarity NPC471102
0.8451 Intermediate Similarity NPC16912
0.8444 Intermediate Similarity NPC473220
0.8444 Intermediate Similarity NPC470753
0.8425 Intermediate Similarity NPC81698
0.8425 Intermediate Similarity NPC250046
0.8425 Intermediate Similarity NPC473215
0.8425 Intermediate Similarity NPC60509
0.8425 Intermediate Similarity NPC476975
0.8417 Intermediate Similarity NPC203486
0.8417 Intermediate Similarity NPC329913
0.8414 Intermediate Similarity NPC473602
0.8406 Intermediate Similarity NPC80599
0.8403 Intermediate Similarity NPC38696
0.84 Intermediate Similarity NPC469771
0.8389 Intermediate Similarity NPC472549
0.8389 Intermediate Similarity NPC282239
0.838 Intermediate Similarity NPC472547
0.838 Intermediate Similarity NPC90614
0.838 Intermediate Similarity NPC171207
0.838 Intermediate Similarity NPC97667
0.8378 Intermediate Similarity NPC327962
0.837 Intermediate Similarity NPC470765
0.8367 Intermediate Similarity NPC165260
0.8367 Intermediate Similarity NPC31829
0.8367 Intermediate Similarity NPC161239
0.8367 Intermediate Similarity NPC198455
0.8367 Intermediate Similarity NPC91730
0.8357 Intermediate Similarity NPC477896
0.8345 Intermediate Similarity NPC127857
0.8345 Intermediate Similarity NPC471107
0.8345 Intermediate Similarity NPC472656
0.8345 Intermediate Similarity NPC471100
0.8333 Intermediate Similarity NPC477894
0.8333 Intermediate Similarity NPC106895
0.8322 Intermediate Similarity NPC472576
0.8322 Intermediate Similarity NPC118080
0.8322 Intermediate Similarity NPC266374
0.8322 Intermediate Similarity NPC27377
0.8322 Intermediate Similarity NPC97947
0.8322 Intermediate Similarity NPC87448
0.8322 Intermediate Similarity NPC291599
0.8322 Intermediate Similarity NPC41481
0.8322 Intermediate Similarity NPC213567
0.8321 Intermediate Similarity NPC89324
0.8311 Intermediate Similarity NPC101043
0.8311 Intermediate Similarity NPC306799
0.8311 Intermediate Similarity NPC197037
0.8311 Intermediate Similarity NPC470153
0.8309 Intermediate Similarity NPC169913
0.8298 Intermediate Similarity NPC472551
0.8298 Intermediate Similarity NPC472545
0.8288 Intermediate Similarity NPC475552
0.8286 Intermediate Similarity NPC126516
0.8271 Intermediate Similarity NPC300827
0.8271 Intermediate Similarity NPC473439
0.8267 Intermediate Similarity NPC21410
0.8267 Intermediate Similarity NPC473670
0.8264 Intermediate Similarity NPC472546
0.8264 Intermediate Similarity NPC182869

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472371 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
0.7746 Intermediate Similarity NPD7008 Discontinued
0.7746 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7733 Intermediate Similarity NPD7236 Approved
0.76 Intermediate Similarity NPD8166 Discontinued
0.7597 Intermediate Similarity NPD7239 Suspended
0.7536 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.7515 Intermediate Similarity NPD8424 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7799 Discontinued
0.7471 Intermediate Similarity NPD8485 Approved
0.7455 Intermediate Similarity NPD8470 Clinical (unspecified phase)
0.7444 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7427 Intermediate Similarity NPD8435 Approved
0.7427 Intermediate Similarity NPD8361 Approved
0.7427 Intermediate Similarity NPD8360 Approved
0.7425 Intermediate Similarity NPD8368 Discontinued
0.7424 Intermediate Similarity NPD2182 Approved
0.74 Intermediate Similarity NPD7702 Clinical (unspecified phase)
0.7397 Intermediate Similarity NPD7961 Discontinued
0.7345 Intermediate Similarity NPD8486 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD6858 Approved
0.7333 Intermediate Similarity NPD7094 Approved
0.7325 Intermediate Similarity NPD7458 Discontinued
0.731 Intermediate Similarity NPD8434 Phase 2
0.7305 Intermediate Similarity NPD6287 Discontinued
0.7294 Intermediate Similarity NPD8407 Phase 2
0.7286 Intermediate Similarity NPD7163 Clinical (unspecified phase)
0.7279 Intermediate Similarity NPD7713 Phase 3
0.7255 Intermediate Similarity NPD7003 Approved
0.7255 Intermediate Similarity NPD4628 Phase 3
0.7244 Intermediate Similarity NPD6273 Approved
0.7235 Intermediate Similarity NPD8313 Approved
0.7235 Intermediate Similarity NPD8312 Approved
0.7234 Intermediate Similarity NPD7457 Clinical (unspecified phase)
0.7226 Intermediate Similarity NPD5951 Approved
0.7225 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7211 Intermediate Similarity NPD3764 Approved
0.7195 Intermediate Similarity NPD8127 Discontinued
0.716 Intermediate Similarity NPD7058 Phase 2
0.716 Intermediate Similarity NPD7057 Phase 3
0.7121 Intermediate Similarity NPD164 Approved
0.711 Intermediate Similarity NPD8150 Discontinued
0.7101 Intermediate Similarity NPD2629 Approved
0.7077 Intermediate Similarity NPD1238 Approved
0.705 Intermediate Similarity NPD4198 Discontinued
0.7037 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.7007 Intermediate Similarity NPD1609 Clinical (unspecified phase)
0.6968 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6949 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6947 Remote Similarity NPD7798 Approved
0.6939 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6933 Remote Similarity NPD7819 Suspended
0.6933 Remote Similarity NPD8455 Phase 2
0.6933 Remote Similarity NPD8032 Phase 2
0.6928 Remote Similarity NPD3748 Approved
0.6923 Remote Similarity NPD7473 Discontinued
0.6894 Remote Similarity NPD3226 Approved
0.6883 Remote Similarity NPD2438 Suspended
0.6875 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6861 Remote Similarity NPD2067 Discontinued
0.6857 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6848 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6848 Remote Similarity NPD7768 Phase 2
0.6842 Remote Similarity NPD5844 Phase 1
0.6839 Remote Similarity NPD2346 Discontinued
0.6831 Remote Similarity NPD7610 Discontinued
0.6791 Remote Similarity NPD1931 Clinical (unspecified phase)
0.6791 Remote Similarity NPD1930 Approved
0.6791 Remote Similarity NPD1929 Approved
0.679 Remote Similarity NPD5808 Clinical (unspecified phase)
0.679 Remote Similarity NPD6591 Clinical (unspecified phase)
0.6788 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6783 Remote Similarity NPD7741 Discontinued
0.6781 Remote Similarity NPD3972 Approved
0.6776 Remote Similarity NPD2979 Phase 3
0.6776 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6774 Remote Similarity NPD5408 Approved
0.6774 Remote Similarity NPD5406 Approved
0.6774 Remote Similarity NPD5404 Approved
0.6774 Remote Similarity NPD5405 Approved
0.6766 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6765 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6763 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6753 Remote Similarity NPD7097 Phase 1
0.675 Remote Similarity NPD7422 Clinical (unspecified phase)
0.675 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6748 Remote Similarity NPD6599 Discontinued
0.6746 Remote Similarity NPD6232 Discontinued
0.6731 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6727 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6726 Remote Similarity NPD5494 Approved
0.6711 Remote Similarity NPD6663 Approved
0.6711 Remote Similarity NPD7715 Approved
0.6711 Remote Similarity NPD7714 Approved
0.671 Remote Similarity NPD2799 Discontinued
0.671 Remote Similarity NPD7305 Phase 1
0.6709 Remote Similarity NPD3750 Approved
0.6707 Remote Similarity NPD7075 Discontinued
0.6707 Remote Similarity NPD7411 Suspended
0.6691 Remote Similarity NPD4141 Clinical (unspecified phase)
0.669 Remote Similarity NPD5125 Phase 3
0.669 Remote Similarity NPD5126 Approved
0.6687 Remote Similarity NPD5402 Approved
0.6686 Remote Similarity NPD6959 Discontinued
0.6667 Remote Similarity NPD6190 Approved
0.6667 Remote Similarity NPD5736 Approved
0.6667 Remote Similarity NPD37 Approved
0.6647 Remote Similarity NPD4965 Approved
0.6647 Remote Similarity NPD4966 Approved
0.6647 Remote Similarity NPD4967 Phase 2
0.6646 Remote Similarity NPD4380 Phase 2
0.6645 Remote Similarity NPD2313 Discontinued
0.6631 Remote Similarity NPD8319 Approved
0.6631 Remote Similarity NPD8320 Phase 1
0.6623 Remote Similarity NPD6832 Phase 2
0.662 Remote Similarity NPD690 Clinical (unspecified phase)
0.6618 Remote Similarity NPD5909 Discontinued
0.6606 Remote Similarity NPD6386 Approved
0.6606 Remote Similarity NPD6385 Approved
0.6604 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6599 Remote Similarity NPD1281 Approved
0.6591 Remote Similarity NPD1989 Approved
0.659 Remote Similarity NPD7228 Approved
0.6584 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6579 Remote Similarity NPD6039 Approved
0.6577 Remote Similarity NPD5667 Approved
0.6577 Remote Similarity NPD1876 Approved
0.6576 Remote Similarity NPD7699 Phase 2
0.6576 Remote Similarity NPD7700 Phase 2
0.6575 Remote Similarity NPD17 Approved
0.657 Remote Similarity NPD7997 Clinical (unspecified phase)
0.6568 Remote Similarity NPD6234 Discontinued
0.6567 Remote Similarity NPD2066 Phase 3
0.6566 Remote Similarity NPD6801 Discontinued
0.6565 Remote Similarity NPD1202 Approved
0.6564 Remote Similarity NPD5403 Approved
0.6561 Remote Similarity NPD2796 Approved
0.6554 Remote Similarity NPD4878 Approved
0.6552 Remote Similarity NPD9545 Approved
0.6549 Remote Similarity NPD4869 Clinical (unspecified phase)
0.6543 Remote Similarity NPD5401 Approved
0.6541 Remote Similarity NPD3495 Discontinued
0.6541 Remote Similarity NPD8285 Discontinued
0.6536 Remote Similarity NPD6798 Discontinued
0.6534 Remote Similarity NPD6765 Approved
0.6534 Remote Similarity NPD6764 Approved
0.6534 Remote Similarity NPD7685 Pre-registration
0.6533 Remote Similarity NPD1470 Approved
0.6519 Remote Similarity NPD7266 Discontinued
0.6516 Remote Similarity NPD6355 Discontinued
0.6507 Remote Similarity NPD3025 Approved
0.6507 Remote Similarity NPD5585 Approved
0.6507 Remote Similarity NPD3024 Approved
0.6506 Remote Similarity NPD6873 Phase 2
0.6503 Remote Similarity NPD6534 Approved
0.6503 Remote Similarity NPD6535 Approved
0.6496 Remote Similarity NPD1237 Approved
0.6494 Remote Similarity NPD7177 Discontinued
0.6494 Remote Similarity NPD6233 Phase 2
0.6494 Remote Similarity NPD7893 Clinical (unspecified phase)
0.649 Remote Similarity NPD2798 Approved
0.6489 Remote Similarity NPD7435 Discontinued
0.6488 Remote Similarity NPD3817 Phase 2
0.6481 Remote Similarity NPD7390 Discontinued
0.6481 Remote Similarity NPD6799 Approved
0.6477 Remote Similarity NPD8462 Phase 1
0.6474 Remote Similarity NPD6166 Phase 2
0.6474 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6474 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6471 Remote Similarity NPD7095 Approved
0.6471 Remote Similarity NPD1932 Approved
0.6467 Remote Similarity NPD1283 Approved
0.646 Remote Similarity NPD3887 Approved
0.6457 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6456 Remote Similarity NPD2935 Discontinued
0.6456 Remote Similarity NPD2531 Phase 2
0.6455 Remote Similarity NPD7870 Phase 2
0.6455 Remote Similarity NPD7871 Phase 2
0.6443 Remote Similarity NPD1608 Approved
0.6443 Remote Similarity NPD6637 Approved
0.6442 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6441 Remote Similarity NPD7240 Approved
0.6441 Remote Similarity NPD6559 Discontinued
0.6439 Remote Similarity NPD7900 Approved
0.6439 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6429 Remote Similarity NPD5761 Phase 2
0.6429 Remote Similarity NPD2329 Discontinued
0.6429 Remote Similarity NPD5760 Phase 2
0.6423 Remote Similarity NPD6647 Phase 2
0.6419 Remote Similarity NPD3023 Approved
0.6419 Remote Similarity NPD3026 Approved
0.6412 Remote Similarity NPD4381 Clinical (unspecified phase)
0.641 Remote Similarity NPD230 Phase 1
0.6407 Remote Similarity NPD6677 Suspended
0.6406 Remote Similarity NPD8151 Discontinued
0.6405 Remote Similarity NPD7055 Discontinued
0.6402 Remote Similarity NPD7698 Approved
0.6402 Remote Similarity NPD7497 Discontinued
0.6402 Remote Similarity NPD7696 Phase 3
0.6402 Remote Similarity NPD7697 Approved
0.6398 Remote Similarity NPD4109 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   10747517
ChEMBL   CHEMBL339538
ZINC  

Physicochemical Properties

Molecular Weight:  730.31
ALogP:  1.3303
MLogP:  5.42
XLogP:  12.058
# Rotatable Bonds:  17
Polar Surface Area:  122.27
# H-Bond Aceptor:  9
# H-Bond Donor:  0
# Rings:  6
# Heavy Atoms:  54

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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