Natural Product: NPC473215

Natural Product ID:  NPC473215
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C32H38O7
Standard InCHIKey:  MSAOFRUSOVGGIK-FOCLMDBBSA-N
Standard InCHI:  InChI=1S/C32H38O7/c1-20-26(34)27(35)28(38-29(36)22-13-9-6-10-14-22)31(4)25(17-23-18-32(20,31)39-30(23,2)3)37-19-24(33)16-15-21-11-7-5-8-12-21/h5-16,20,23,25-28,34-35H,17-19H2,1-4H3/b16-15+
Canonical SMILES:  O=C(COC1CC2CC3(C1(C)C(OC(=O)c1ccccc1)C(O)C(C3C)O)OC2(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
NPO33107 zinowiewia costaricensis Species Celastraceae Eukaryota PMID[15974580]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT886 Cell Line NIH3T3 Mus musculus Ki = 6940 nM 25237727

  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 NPC473215 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
0.9929 High Similarity NPC473214
0.9929 High Similarity NPC470245
0.9857 High Similarity NPC476975
0.9712 High Similarity NPC475122
0.9643 High Similarity NPC472572
0.9643 High Similarity NPC96903
0.9643 High Similarity NPC177940
0.9643 High Similarity NPC184817
0.9643 High Similarity NPC472571
0.9643 High Similarity NPC200471
0.9643 High Similarity NPC476973
0.9643 High Similarity NPC174982
0.9643 High Similarity NPC472575
0.9643 High Similarity NPC471104
0.9643 High Similarity NPC70403
0.9643 High Similarity NPC470157
0.9643 High Similarity NPC469349
0.9643 High Similarity NPC29704
0.9643 High Similarity NPC473088
0.9643 High Similarity NPC158663
0.9643 High Similarity NPC472568
0.9643 High Similarity NPC171525
0.9643 High Similarity NPC470159
0.9586 High Similarity NPC106895
0.958 High Similarity NPC470153
0.9571 High Similarity NPC472570
0.9571 High Similarity NPC11685
0.9571 High Similarity NPC476974
0.9571 High Similarity NPC95265
0.9571 High Similarity NPC475759
0.9571 High Similarity NPC470152
0.9571 High Similarity NPC472573
0.9571 High Similarity NPC95810
0.9571 High Similarity NPC188865
0.9571 High Similarity NPC125106
0.9571 High Similarity NPC57628
0.9571 High Similarity NPC70716
0.9571 High Similarity NPC472569
0.9571 High Similarity NPC25768
0.9571 High Similarity NPC241951
0.9571 High Similarity NPC470231
0.9571 High Similarity NPC163719
0.9517 High Similarity NPC282239
0.95 High Similarity NPC163087
0.9441 High Similarity NPC266265
0.9441 High Similarity NPC471101
0.9441 High Similarity NPC301556
0.9441 High Similarity NPC270590
0.9441 High Similarity NPC92293
0.9424 High Similarity NPC100913
0.9424 High Similarity NPC275592
0.9388 High Similarity NPC472393
0.9371 High Similarity NPC281717
0.9366 High Similarity NPC472556
0.9357 High Similarity NPC118080
0.9357 High Similarity NPC87448
0.9357 High Similarity NPC27377
0.9357 High Similarity NPC41481
0.9357 High Similarity NPC97947
0.9357 High Similarity NPC472576
0.9357 High Similarity NPC16912
0.9357 High Similarity NPC291599
0.9353 High Similarity NPC475652
0.9353 High Similarity NPC214550
0.9353 High Similarity NPC210591
0.9324 High Similarity NPC471102
0.932 High Similarity NPC217091
0.931 High Similarity NPC51602
0.931 High Similarity NPC471103
0.9301 High Similarity NPC474935
0.9286 High Similarity NPC473060
0.9286 High Similarity NPC97667
0.9286 High Similarity NPC473613
0.9286 High Similarity NPC473081
0.9286 High Similarity NPC476094
0.9286 High Similarity NPC90614
0.9286 High Similarity NPC4341
0.9286 High Similarity NPC211137
0.9286 High Similarity NPC200592
0.9286 High Similarity NPC43241
0.9286 High Similarity NPC147880
0.9286 High Similarity NPC473758
0.9286 High Similarity NPC473109
0.9286 High Similarity NPC171207
0.9286 High Similarity NPC184747
0.9286 High Similarity NPC473112
0.9286 High Similarity NPC473085
0.9286 High Similarity NPC48017
0.9281 High Similarity NPC183122
0.9281 High Similarity NPC283375
0.9252 High Similarity NPC26033
0.9252 High Similarity NPC228204
0.9241 High Similarity NPC7095
0.9241 High Similarity NPC254558
0.922 High Similarity NPC224491
0.9184 High Similarity NPC249471
0.9184 High Similarity NPC472030
0.9184 High Similarity NPC1173
0.9184 High Similarity NPC472022
0.9184 High Similarity NPC472005
0.9184 High Similarity NPC257213
0.9184 High Similarity NPC265395
0.9184 High Similarity NPC242262
0.9184 High Similarity NPC158333
0.9184 High Similarity NPC237549
0.9184 High Similarity NPC256142
0.9184 High Similarity NPC473414
0.9184 High Similarity NPC304876
0.9172 High Similarity NPC250046
0.9172 High Similarity NPC81698
0.9172 High Similarity NPC60509
0.9155 High Similarity NPC472546
0.9122 High Similarity NPC473670
0.9122 High Similarity NPC472549
0.9122 High Similarity NPC21410
0.9122 High Similarity NPC114410
0.9122 High Similarity NPC112523
0.9116 High Similarity NPC477905
0.911 High Similarity NPC112216
0.911 High Similarity NPC161239
0.911 High Similarity NPC198455
0.911 High Similarity NPC165260
0.9091 High Similarity NPC246480
0.9091 High Similarity NPC191082
0.9091 High Similarity NPC177340
0.9091 High Similarity NPC147217
0.9091 High Similarity NPC139067
0.9091 High Similarity NPC91703
0.9091 High Similarity NPC473673
0.9091 High Similarity NPC475429
0.9091 High Similarity NPC270498
0.9065 High Similarity NPC474608
0.9054 High Similarity NPC77719
0.9034 High Similarity NPC473602
0.9028 High Similarity NPC51314
0.9028 High Similarity NPC67777
0.9021 High Similarity NPC182869
0.9021 High Similarity NPC34012
0.9014 High Similarity NPC472547
0.9007 High Similarity NPC39549
0.9 High Similarity NPC472577
0.9 High Similarity NPC17877
0.9 High Similarity NPC66761
0.9 High Similarity NPC291638
0.9 High Similarity NPC469771
0.9 High Similarity NPC195647
0.8986 High Similarity NPC472548
0.8966 High Similarity NPC471100
0.8966 High Similarity NPC127857
0.8966 High Similarity NPC471107
0.8936 High Similarity NPC472551
0.8936 High Similarity NPC472545
0.8919 High Similarity NPC306799
0.8919 High Similarity NPC101043
0.8867 High Similarity NPC132599
0.8867 High Similarity NPC34066
0.8867 High Similarity NPC473611
0.8867 High Similarity NPC473632
0.8867 High Similarity NPC469730
0.8851 High Similarity NPC31829
0.8851 High Similarity NPC469448
0.8844 High Similarity NPC473760
0.8824 High Similarity NPC476077
0.88 High Similarity NPC219419
0.8794 High Similarity NPC48929
0.8786 High Similarity NPC476976
0.8777 High Similarity NPC147561
0.8776 High Similarity NPC209592
0.8776 High Similarity NPC240115
0.8776 High Similarity NPC48599
0.8767 High Similarity NPC38696
0.8767 High Similarity NPC34943
0.8742 High Similarity NPC114357
0.8742 High Similarity NPC259144
0.8742 High Similarity NPC155329
0.8742 High Similarity NPC469422
0.8733 High Similarity NPC283875
0.8733 High Similarity NPC233581
0.8733 High Similarity NPC469647
0.8733 High Similarity NPC469648
0.8733 High Similarity NPC22571
0.8733 High Similarity NPC138641
0.8733 High Similarity NPC145649
0.8716 High Similarity NPC217918
0.8714 High Similarity NPC476977
0.871 High Similarity NPC66193
0.8707 High Similarity NPC301946
0.8707 High Similarity NPC277053
0.8699 High Similarity NPC477894
0.8693 High Similarity NPC469399
0.869 High Similarity NPC266374
0.8684 High Similarity NPC70344
0.8684 High Similarity NPC11410
0.8675 High Similarity NPC248265
0.8675 High Similarity NPC134685
0.8675 High Similarity NPC11588
0.8675 High Similarity NPC229545
0.8675 High Similarity NPC472657
0.8675 High Similarity NPC472658
0.8671 High Similarity NPC477469

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC473215 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
0.8456 Intermediate Similarity NPD7236 Approved
0.8182 Intermediate Similarity NPD7239 Suspended
0.816 Intermediate Similarity NPD7799 Discontinued
0.8036 Intermediate Similarity NPD8407 Phase 2
0.8 Intermediate Similarity NPD8470 Clinical (unspecified phase)
0.7964 Intermediate Similarity NPD8368 Discontinued
0.7953 Intermediate Similarity NPD8435 Approved
0.7941 Intermediate Similarity NPD8434 Phase 2
0.7877 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7849 Intermediate Similarity NPD8360 Approved
0.7849 Intermediate Similarity NPD8361 Approved
0.7836 Intermediate Similarity NPD8424 Clinical (unspecified phase)
0.7784 Intermediate Similarity NPD8485 Approved
0.777 Intermediate Similarity NPD7961 Discontinued
0.7716 Intermediate Similarity NPD7058 Phase 2
0.7716 Intermediate Similarity NPD7057 Phase 3
0.7674 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7654 Intermediate Similarity NPD8486 Clinical (unspecified phase)
0.7571 Intermediate Similarity NPD4198 Discontinued
0.7557 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7529 Intermediate Similarity NPD8150 Discontinued
0.7517 Intermediate Similarity NPD7008 Discontinued
0.75 Intermediate Similarity NPD8166 Discontinued
0.75 Intermediate Similarity NPD2629 Approved
0.7483 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.7452 Intermediate Similarity NPD6190 Approved
0.7425 Intermediate Similarity NPD8127 Discontinued
0.7389 Intermediate Similarity NPD4628 Phase 3
0.7378 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7375 Intermediate Similarity NPD6273 Approved
0.7315 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.7301 Intermediate Similarity NPD6599 Discontinued
0.7292 Intermediate Similarity NPD7741 Discontinued
0.7267 Intermediate Similarity NPD5844 Phase 1
0.7246 Intermediate Similarity NPD7075 Discontinued
0.7239 Intermediate Similarity NPD7458 Discontinued
0.7237 Intermediate Similarity NPD3764 Approved
0.7229 Intermediate Similarity NPD5402 Approved
0.7197 Intermediate Similarity NPD7702 Clinical (unspecified phase)
0.7192 Intermediate Similarity NPD5126 Approved
0.7192 Intermediate Similarity NPD5125 Phase 3
0.7159 Intermediate Similarity NPD8313 Approved
0.7159 Intermediate Similarity NPD8312 Approved
0.7143 Intermediate Similarity NPD6764 Approved
0.7143 Intermediate Similarity NPD6765 Approved
0.7133 Intermediate Similarity NPD5951 Approved
0.7133 Intermediate Similarity NPD690 Clinical (unspecified phase)
0.712 Intermediate Similarity NPD8462 Phase 1
0.7117 Intermediate Similarity NPD5403 Approved
0.7112 Intermediate Similarity NPD8320 Phase 1
0.7112 Intermediate Similarity NPD8319 Approved
0.7108 Intermediate Similarity NPD37 Approved
0.7108 Intermediate Similarity NPD6801 Discontinued
0.7099 Intermediate Similarity NPD5401 Approved
0.7097 Intermediate Similarity NPD6355 Discontinued
0.7092 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7086 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD4967 Phase 2
0.7083 Intermediate Similarity NPD4965 Approved
0.7083 Intermediate Similarity NPD4966 Approved
0.7066 Intermediate Similarity NPD7819 Suspended
0.7065 Intermediate Similarity NPD7699 Phase 2
0.7065 Intermediate Similarity NPD7700 Phase 2
0.7063 Intermediate Similarity NPD7003 Approved
0.7059 Intermediate Similarity NPD7435 Discontinued
0.7056 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD6799 Approved
0.7027 Intermediate Similarity NPD7457 Clinical (unspecified phase)
0.7024 Intermediate Similarity NPD3817 Phase 2
0.7011 Intermediate Similarity NPD7228 Approved
0.7 Intermediate Similarity NPD6234 Discontinued
0.6995 Remote Similarity NPD6535 Approved
0.6995 Remote Similarity NPD6534 Approved
0.6994 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6988 Remote Similarity NPD4380 Phase 2
0.6986 Remote Similarity NPD7610 Discontinued
0.6983 Remote Similarity NPD6785 Approved
0.6983 Remote Similarity NPD6784 Approved
0.6982 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6982 Remote Similarity NPD7768 Phase 2
0.6977 Remote Similarity NPD3787 Discontinued
0.6971 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6968 Remote Similarity NPD6233 Phase 2
0.6968 Remote Similarity NPD7497 Discontinued
0.6964 Remote Similarity NPD8455 Phase 2
0.6959 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6959 Remote Similarity NPD7163 Clinical (unspecified phase)
0.6959 Remote Similarity NPD5494 Approved
0.6954 Remote Similarity NPD7473 Discontinued
0.6948 Remote Similarity NPD7095 Approved
0.6928 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6928 Remote Similarity NPD6591 Clinical (unspecified phase)
0.6927 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6927 Remote Similarity NPD7874 Approved
0.6914 Remote Similarity NPD3751 Discontinued
0.6914 Remote Similarity NPD7274 Clinical (unspecified phase)
0.6903 Remote Similarity NPD6798 Discontinued
0.6897 Remote Similarity NPD6166 Phase 2
0.6897 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6897 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6894 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6888 Remote Similarity NPD8404 Phase 2
0.6882 Remote Similarity NPD3882 Suspended
0.6875 Remote Similarity NPD5762 Approved
0.6875 Remote Similarity NPD5763 Approved
0.6875 Remote Similarity NPD6858 Approved
0.6875 Remote Similarity NPD7094 Approved
0.6867 Remote Similarity NPD6287 Discontinued
0.6864 Remote Similarity NPD5760 Phase 2
0.6864 Remote Similarity NPD5761 Phase 2
0.6854 Remote Similarity NPD6559 Discontinued
0.6854 Remote Similarity NPD7240 Approved
0.6854 Remote Similarity NPD7685 Pre-registration
0.6853 Remote Similarity NPD4141 Clinical (unspecified phase)
0.6852 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6852 Remote Similarity NPD3750 Approved
0.6839 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6831 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6831 Remote Similarity NPD2182 Approved
0.6824 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6816 Remote Similarity NPD7808 Phase 3
0.6816 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6813 Remote Similarity NPD5408 Approved
0.6813 Remote Similarity NPD5405 Approved
0.6813 Remote Similarity NPD5404 Approved
0.6813 Remote Similarity NPD5406 Approved
0.6809 Remote Similarity NPD6776 Approved
0.6809 Remote Similarity NPD6779 Approved
0.6809 Remote Similarity NPD6780 Approved
0.6809 Remote Similarity NPD6782 Approved
0.6809 Remote Similarity NPD6781 Approved
0.6809 Remote Similarity NPD6778 Approved
0.6809 Remote Similarity NPD6777 Approved
0.6807 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6802 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6789 Remote Similarity NPD7698 Approved
0.6789 Remote Similarity NPD7696 Phase 3
0.6789 Remote Similarity NPD7697 Approved
0.6786 Remote Similarity NPD1237 Approved
0.6783 Remote Similarity NPD2067 Discontinued
0.6782 Remote Similarity NPD6232 Discontinued
0.677 Remote Similarity NPD2346 Discontinued
0.677 Remote Similarity NPD2343 Clinical (unspecified phase)
0.677 Remote Similarity NPD7266 Discontinued
0.6765 Remote Similarity NPD2393 Clinical (unspecified phase)
0.676 Remote Similarity NPD7251 Discontinued
0.6754 Remote Similarity NPD7871 Phase 2
0.6754 Remote Similarity NPD7870 Phase 2
0.6752 Remote Similarity NPD7715 Approved
0.6752 Remote Similarity NPD7714 Approved
0.6752 Remote Similarity NPD7713 Phase 3
0.6752 Remote Similarity NPD6663 Approved
0.675 Remote Similarity NPD3748 Approved
0.6746 Remote Similarity NPD7411 Suspended
0.6744 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6736 Remote Similarity NPD7701 Phase 2
0.6727 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6726 Remote Similarity NPD3226 Approved
0.6724 Remote Similarity NPD7199 Phase 2
0.6723 Remote Similarity NPD3818 Discontinued
0.6718 Remote Similarity NPD7801 Approved
0.6714 Remote Similarity NPD1931 Clinical (unspecified phase)
0.6714 Remote Similarity NPD1929 Approved
0.6714 Remote Similarity NPD1930 Approved
0.671 Remote Similarity NPD5736 Approved
0.6708 Remote Similarity NPD2935 Discontinued
0.6706 Remote Similarity NPD1934 Approved
0.6705 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6704 Remote Similarity NPD6797 Phase 2
0.6687 Remote Similarity NPD2534 Approved
0.6687 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6687 Remote Similarity NPD2532 Approved
0.6687 Remote Similarity NPD2533 Approved
0.6687 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6667 Remote Similarity NPD230 Phase 1
0.6649 Remote Similarity NPD6823 Phase 2
0.6648 Remote Similarity NPD7074 Phase 3
0.6647 Remote Similarity NPD3749 Approved
0.6647 Remote Similarity NPD5049 Phase 3
0.6646 Remote Similarity NPD2799 Discontinued
0.6646 Remote Similarity NPD8032 Phase 2
0.6645 Remote Similarity NPD4807 Approved
0.6645 Remote Similarity NPD4806 Approved
0.6629 Remote Similarity NPD6959 Discontinued
0.6623 Remote Similarity NPD5306 Approved
0.6623 Remote Similarity NPD5667 Approved
0.6623 Remote Similarity NPD5305 Approved
0.6619 Remote Similarity NPD1238 Approved
0.6609 Remote Similarity NPD919 Approved
0.6604 Remote Similarity NPD4060 Phase 1
0.6603 Remote Similarity NPD5204 Approved
0.6599 Remote Similarity NPD4869 Clinical (unspecified phase)
0.6596 Remote Similarity NPD6647 Phase 2
0.6592 Remote Similarity NPD7054 Approved
0.6588 Remote Similarity NPD7028 Phase 2
0.6587 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6587 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6587 Remote Similarity NPD7446 Clinical (unspecified phase)
0.6584 Remote Similarity NPD7097 Phase 1
0.6584 Remote Similarity NPD8155 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   44398533
ChEMBL   CHEMBL372037
ZINC  

Physicochemical Properties

Molecular Weight:  534.26
ALogP:  -0.8993
MLogP:  4.21
XLogP:  7.902
# Rotatable Bonds:  14
Polar Surface Area:  102.29
# H-Bond Aceptor:  7
# H-Bond Donor:  2
# Rings:  5
# Heavy Atoms:  39

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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