Natural Product: NPC475369

Natural Product ID:  NPC475369
Common Name:   Cycloheterphyllin Peracetate
IUPAC Name:  
Synonyms:   Cycloheterphyllin Peracetate
Molecular Formula:   C36H36O10
Standard InCHIKey:  XPLGPCNCLXWQHN-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C36H36O10/c1-17(2)10-11-22-32-23(12-13-36(8,9)46-32)33(43-21(7)39)30-31(40)29-28(14-18(3)4)44-25-16-27(42-20(6)38)26(41-19(5)37)15-24(25)35(29)45-34(22)30/h10,12-16,28H,11H2,1-9H3
Canonical SMILES:  CC(=CCc1c2OC(C)(C)C=Cc2c(c2c1oc1c3cc(OC(=O)C)c(cc3OC(c1c2=O)C=C(C)C)OC(=O)C)OC(=O)C)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
NPO17767 Artocarpus heterophyllus Species Moraceae Eukaryota PMID[8864236]
NPO5495 Broussonetia papyrifera Species Moraceae Eukaryota PMID[8864236]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Activity = 74 % 894684
NPT2 Others Unspecified Activity = 91 % 26916438
NPT2 Others Unspecified Activity = 78.3 % 20585113
NPT2 Others Unspecified Activity = 73 % 20585113

  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 NPC475369 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
0.9688 High Similarity NPC475669
0.949 High Similarity NPC477164
0.9299 High Similarity NPC180340
0.9202 High Similarity NPC477165
0.9172 High Similarity NPC186507
0.9172 High Similarity NPC472408
0.9172 High Similarity NPC128961
0.9119 High Similarity NPC19097
0.9108 High Similarity NPC40033
0.9103 High Similarity NPC189270
0.9103 High Similarity NPC5840
0.9068 High Similarity NPC40037
0.9068 High Similarity NPC165549
0.9057 High Similarity NPC257277
0.9038 High Similarity NPC164299
0.9012 High Similarity NPC414831
0.9012 High Similarity NPC194427
0.8994 High Similarity NPC276059
0.8994 High Similarity NPC471746
0.8994 High Similarity NPC122623
0.8994 High Similarity NPC34725
0.8994 High Similarity NPC241774
0.8987 High Similarity NPC166201
0.8974 High Similarity NPC476342
0.8944 High Similarity NPC187792
0.8924 High Similarity NPC472535
0.8924 High Similarity NPC198615
0.8924 High Similarity NPC474663
0.8924 High Similarity NPC474388
0.8924 High Similarity NPC474170
0.891 High Similarity NPC85233
0.8902 High Similarity NPC85057
0.8902 High Similarity NPC280893
0.8902 High Similarity NPC130920
0.8896 High Similarity NPC18284
0.8896 High Similarity NPC273021
0.8882 High Similarity NPC78071
0.8882 High Similarity NPC284820
0.8882 High Similarity NPC473272
0.8861 High Similarity NPC29056
0.8861 High Similarity NPC177839
0.8855 High Similarity NPC476180
0.8848 High Similarity NPC475214
0.8848 High Similarity NPC120593
0.8846 High Similarity NPC106461
0.8846 High Similarity NPC215932
0.8846 High Similarity NPC40818
0.8846 High Similarity NPC283002
0.8846 High Similarity NPC302408
0.8846 High Similarity NPC14958
0.8846 High Similarity NPC110639
0.8841 High Similarity NPC234004
0.8834 High Similarity NPC198829
0.8834 High Similarity NPC34376
0.8827 High Similarity NPC469658
0.8827 High Similarity NPC113055
0.882 High Similarity NPC248299
0.882 High Similarity NPC474983
0.8802 High Similarity NPC475434
0.8797 High Similarity NPC474648
0.8797 High Similarity NPC238366
0.879 High Similarity NPC282335
0.879 High Similarity NPC218300
0.879 High Similarity NPC205522
0.8788 High Similarity NPC50960
0.8782 High Similarity NPC165512
0.8782 High Similarity NPC471590
0.878 High Similarity NPC108767
0.878 High Similarity NPC8300
0.878 High Similarity NPC475144
0.878 High Similarity NPC261470
0.8774 High Similarity NPC70853
0.8774 High Similarity NPC9966
0.8773 High Similarity NPC192686
0.8773 High Similarity NPC118256
0.8773 High Similarity NPC475784
0.8773 High Similarity NPC298093
0.8773 High Similarity NPC119209
0.8765 High Similarity NPC108456
0.8765 High Similarity NPC476981
0.8765 High Similarity NPC218871
0.8765 High Similarity NPC476630
0.8758 High Similarity NPC226025
0.8758 High Similarity NPC222185
0.8743 High Similarity NPC177480
0.8742 High Similarity NPC201547
0.8742 High Similarity NPC259058
0.8735 High Similarity NPC272502
0.8734 High Similarity NPC183236
0.8734 High Similarity NPC10304
0.8734 High Similarity NPC63256
0.8727 High Similarity NPC474350
0.8726 High Similarity NPC216314
0.8726 High Similarity NPC195919
0.8726 High Similarity NPC120924
0.872 High Similarity NPC259456
0.872 High Similarity NPC471211
0.872 High Similarity NPC471212
0.872 High Similarity NPC26326
0.872 High Similarity NPC474038
0.872 High Similarity NPC472634
0.872 High Similarity NPC471210
0.8718 High Similarity NPC23955
0.8718 High Similarity NPC113089
0.8712 High Similarity NPC74178
0.8712 High Similarity NPC184755
0.871 High Similarity NPC29536
0.8704 High Similarity NPC276444
0.8704 High Similarity NPC155063
0.8704 High Similarity NPC471985
0.8696 High Similarity NPC473664
0.8696 High Similarity NPC475895
0.869 High Similarity NPC103307
0.869 High Similarity NPC476365
0.8683 High Similarity NPC8965
0.8683 High Similarity NPC158761
0.8679 High Similarity NPC69752
0.8679 High Similarity NPC181250
0.8667 High Similarity NPC302741
0.8667 High Similarity NPC83922
0.8667 High Similarity NPC472448
0.8667 High Similarity NPC229632
0.8662 High Similarity NPC136278
0.8662 High Similarity NPC179970
0.8662 High Similarity NPC294365
0.8662 High Similarity NPC171656
0.8659 High Similarity NPC476980
0.8659 High Similarity NPC472631
0.8659 High Similarity NPC472630
0.8659 High Similarity NPC204290
0.8659 High Similarity NPC299436
0.8654 High Similarity NPC476054
0.865 High Similarity NPC27337
0.865 High Similarity NPC223787
0.8647 High Similarity NPC99591
0.8642 High Similarity NPC37392
0.8639 High Similarity NPC475155
0.8639 High Similarity NPC271848
0.8639 High Similarity NPC81332
0.8639 High Similarity NPC262580
0.8639 High Similarity NPC289396
0.8639 High Similarity NPC212038
0.8634 High Similarity NPC134677
0.8634 High Similarity NPC144162
0.8631 High Similarity NPC475212
0.8631 High Similarity NPC471287
0.8623 High Similarity NPC207575
0.8623 High Similarity NPC471213
0.8623 High Similarity NPC193881
0.8623 High Similarity NPC173292
0.8623 High Similarity NPC210460
0.8623 High Similarity NPC13481
0.8623 High Similarity NPC39091
0.8623 High Similarity NPC155264
0.8623 High Similarity NPC67450
0.8614 High Similarity NPC472625
0.8614 High Similarity NPC186686
0.8608 High Similarity NPC310259
0.8608 High Similarity NPC231013
0.8606 High Similarity NPC472632
0.8606 High Similarity NPC474186
0.8606 High Similarity NPC266314
0.8606 High Similarity NPC475883
0.8606 High Similarity NPC349525
0.8606 High Similarity NPC474351
0.8606 High Similarity NPC167678
0.8606 High Similarity NPC474187
0.8606 High Similarity NPC29876
0.8599 High Similarity NPC182842
0.8599 High Similarity NPC293201
0.8599 High Similarity NPC59522
0.8598 High Similarity NPC83763
0.8598 High Similarity NPC168616
0.8598 High Similarity NPC53545
0.8598 High Similarity NPC473990
0.8598 High Similarity NPC250214
0.8598 High Similarity NPC117418
0.8598 High Similarity NPC95936
0.859 High Similarity NPC52576
0.859 High Similarity NPC185607
0.859 High Similarity NPC214919
0.859 High Similarity NPC124467
0.8589 High Similarity NPC278778
0.8589 High Similarity NPC303255
0.8589 High Similarity NPC282307
0.8589 High Similarity NPC170026
0.8589 High Similarity NPC291878
0.8589 High Similarity NPC195796
0.8589 High Similarity NPC470328
0.8589 High Similarity NPC209614
0.8589 High Similarity NPC35038
0.8589 High Similarity NPC472626
0.8588 High Similarity NPC208668
0.858 High Similarity NPC476631
0.858 High Similarity NPC280937
0.858 High Similarity NPC74559
0.858 High Similarity NPC293004
0.858 High Similarity NPC170492
0.858 High Similarity NPC144288
0.8571 High Similarity NPC208043

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC475369 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
0.8773 High Similarity NPD5494 Approved
0.8758 High Similarity NPD3817 Phase 2
0.8466 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8466 Intermediate Similarity NPD7819 Suspended
0.8466 Intermediate Similarity NPD2801 Approved
0.8412 Intermediate Similarity NPD7054 Approved
0.8412 Intermediate Similarity NPD5844 Phase 1
0.8405 Intermediate Similarity NPD1934 Approved
0.8373 Intermediate Similarity NPD919 Approved
0.8363 Intermediate Similarity NPD7074 Phase 3
0.8363 Intermediate Similarity NPD7472 Approved
0.8354 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8343 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8343 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8343 Intermediate Similarity NPD6166 Phase 2
0.8324 Intermediate Similarity NPD7808 Phase 3
0.8324 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8313 Intermediate Similarity NPD7075 Discontinued
0.8303 Intermediate Similarity NPD5402 Approved
0.8293 Intermediate Similarity NPD6801 Discontinued
0.8269 Intermediate Similarity NPD2796 Approved
0.8198 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.8187 Intermediate Similarity NPD7473 Discontinued
0.8171 Intermediate Similarity NPD4380 Phase 2
0.8166 Intermediate Similarity NPD1247 Approved
0.8161 Intermediate Similarity NPD7251 Discontinued
0.8144 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.814 Intermediate Similarity NPD3818 Discontinued
0.8121 Intermediate Similarity NPD7411 Suspended
0.8118 Intermediate Similarity NPD6232 Discontinued
0.8103 Intermediate Similarity NPD6797 Phase 2
0.8086 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8084 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.8025 Intermediate Similarity NPD1511 Approved
0.8025 Intermediate Similarity NPD6799 Approved
0.7988 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7988 Intermediate Similarity NPD920 Approved
0.7988 Intermediate Similarity NPD5403 Approved
0.7988 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7975 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7975 Intermediate Similarity NPD5401 Approved
0.7944 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7929 Intermediate Similarity NPD3882 Suspended
0.7927 Intermediate Similarity NPD1512 Approved
0.7919 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7898 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7888 Intermediate Similarity NPD1243 Approved
0.7866 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7853 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7849 Intermediate Similarity NPD6959 Discontinued
0.7844 Intermediate Similarity NPD6599 Discontinued
0.7824 Intermediate Similarity NPD7768 Phase 2
0.7764 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7764 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.776 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7759 Intermediate Similarity NPD3926 Phase 2
0.775 Intermediate Similarity NPD3748 Approved
0.7716 Intermediate Similarity NPD1549 Phase 2
0.7706 Intermediate Similarity NPD1465 Phase 2
0.7702 Intermediate Similarity NPD2935 Discontinued
0.7692 Intermediate Similarity NPD6832 Phase 2
0.7654 Intermediate Similarity NPD6559 Discontinued
0.764 Intermediate Similarity NPD1510 Phase 2
0.7614 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.7595 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7562 Intermediate Similarity NPD1933 Approved
0.7561 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7515 Intermediate Similarity NPD3750 Approved
0.75 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7486 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7471 Intermediate Similarity NPD3226 Approved
0.7471 Intermediate Similarity NPD3749 Approved
0.7453 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7453 Intermediate Similarity NPD447 Suspended
0.7443 Intermediate Similarity NPD7199 Phase 2
0.744 Intermediate Similarity NPD2534 Approved
0.744 Intermediate Similarity NPD2532 Approved
0.744 Intermediate Similarity NPD2533 Approved
0.7421 Intermediate Similarity NPD8285 Discontinued
0.7412 Intermediate Similarity NPD1653 Approved
0.7407 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD1240 Approved
0.7377 Intermediate Similarity NPD8313 Approved
0.7377 Intermediate Similarity NPD8312 Approved
0.7375 Intermediate Similarity NPD2313 Discontinued
0.736 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.736 Intermediate Similarity NPD7783 Phase 2
0.736 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.736 Intermediate Similarity NPD5242 Approved
0.7356 Intermediate Similarity NPD5353 Approved
0.7351 Intermediate Similarity NPD8434 Phase 2
0.7351 Intermediate Similarity NPD8150 Discontinued
0.7346 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7346 Intermediate Similarity NPD5124 Phase 1
0.7345 Intermediate Similarity NPD8127 Discontinued
0.7341 Intermediate Similarity NPD37 Approved
0.7317 Intermediate Similarity NPD2799 Discontinued
0.7314 Intermediate Similarity NPD4966 Approved
0.7314 Intermediate Similarity NPD4967 Phase 2
0.7314 Intermediate Similarity NPD4965 Approved
0.7308 Intermediate Similarity NPD5953 Discontinued
0.7305 Intermediate Similarity NPD4628 Phase 3
0.7303 Intermediate Similarity NPD3787 Discontinued
0.7301 Intermediate Similarity NPD1607 Approved
0.7299 Intermediate Similarity NPD8455 Phase 2
0.7293 Intermediate Similarity NPD7286 Phase 2
0.7283 Intermediate Similarity NPD6386 Approved
0.7283 Intermediate Similarity NPD6385 Approved
0.7278 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD1551 Phase 2
0.7268 Intermediate Similarity NPD7685 Pre-registration
0.7268 Intermediate Similarity NPD7435 Discontinued
0.7238 Intermediate Similarity NPD7228 Approved
0.7238 Intermediate Similarity NPD3751 Discontinued
0.7232 Intermediate Similarity NPD6234 Discontinued
0.7229 Intermediate Similarity NPD2346 Discontinued
0.7228 Intermediate Similarity NPD7549 Discontinued
0.7212 Intermediate Similarity NPD7033 Discontinued
0.7202 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD7697 Approved
0.7179 Intermediate Similarity NPD7696 Phase 3
0.7179 Intermediate Similarity NPD7698 Approved
0.7178 Intermediate Similarity NPD4307 Phase 2
0.7172 Intermediate Similarity NPD8151 Discontinued
0.717 Intermediate Similarity NPD3267 Approved
0.717 Intermediate Similarity NPD3266 Approved
0.7168 Intermediate Similarity NPD7458 Discontinued
0.716 Intermediate Similarity NPD6190 Approved
0.7143 Intermediate Similarity NPD2800 Approved
0.7143 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD7870 Phase 2
0.7143 Intermediate Similarity NPD7871 Phase 2
0.7136 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7136 Intermediate Similarity NPD7874 Approved
0.7134 Intermediate Similarity NPD230 Phase 1
0.7134 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7113 Intermediate Similarity NPD6781 Approved
0.7113 Intermediate Similarity NPD6777 Approved
0.7113 Intermediate Similarity NPD6778 Approved
0.7113 Intermediate Similarity NPD6782 Approved
0.7113 Intermediate Similarity NPD6780 Approved
0.7113 Intermediate Similarity NPD6776 Approved
0.7113 Intermediate Similarity NPD6779 Approved
0.7111 Intermediate Similarity NPD7229 Phase 3
0.7101 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7101 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7093 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD6651 Approved
0.7086 Intermediate Similarity NPD5889 Approved
0.7086 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7086 Intermediate Similarity NPD5890 Approved
0.7081 Intermediate Similarity NPD7240 Approved
0.7076 Intermediate Similarity NPD7390 Discontinued
0.7073 Intermediate Similarity NPD1613 Approved
0.7073 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD943 Approved
0.7071 Intermediate Similarity NPD7584 Approved
0.7059 Intermediate Similarity NPD3887 Approved
0.7055 Intermediate Similarity NPD3268 Approved
0.7055 Intermediate Similarity NPD1296 Phase 2
0.7045 Intermediate Similarity NPD6844 Discontinued
0.7043 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7035 Intermediate Similarity NPD7701 Phase 2
0.7035 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7029 Intermediate Similarity NPD6585 Discontinued
0.7019 Intermediate Similarity NPD1019 Discontinued
0.7012 Intermediate Similarity NPD6233 Phase 2
0.7006 Intermediate Similarity NPD17 Approved
0.7006 Intermediate Similarity NPD4308 Phase 3
0.7 Intermediate Similarity NPD3225 Approved
0.6994 Remote Similarity NPD3027 Phase 3
0.6985 Remote Similarity NPD7583 Approved
0.6971 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6971 Remote Similarity NPD8158 Clinical (unspecified phase)
0.6964 Remote Similarity NPD6099 Approved
0.6964 Remote Similarity NPD6100 Approved
0.6964 Remote Similarity NPD2438 Suspended
0.6957 Remote Similarity NPD1203 Approved
0.6957 Remote Similarity NPD2797 Approved
0.6954 Remote Similarity NPD6823 Phase 2
0.6951 Remote Similarity NPD6798 Discontinued
0.695 Remote Similarity NPD7585 Approved
0.6946 Remote Similarity NPD7097 Phase 1
0.6943 Remote Similarity NPD4363 Phase 3
0.6943 Remote Similarity NPD4360 Phase 2
0.6941 Remote Similarity NPD1652 Phase 2
0.694 Remote Similarity NPD2403 Approved
0.6933 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6931 Remote Similarity NPD7801 Approved
0.6928 Remote Similarity NPD6355 Discontinued
0.6923 Remote Similarity NPD7699 Phase 2
0.6923 Remote Similarity NPD5711 Approved
0.6923 Remote Similarity NPD7700 Phase 2
0.6923 Remote Similarity NPD5710 Approved
0.6914 Remote Similarity NPD2798 Approved
0.6897 Remote Similarity NPD6273 Approved
0.6897 Remote Similarity NPD7314 Clinical (unspecified phase)
0.6875 Remote Similarity NPD1608 Approved
0.6875 Remote Similarity NPD9717 Approved
0.6872 Remote Similarity NPD4288 Approved

Structure

External Identifiers

PubChem CID   44566810
ChEMBL   CHEMBL504407
ZINC  

Physicochemical Properties

Molecular Weight:  628.23
ALogP:  3.3008
MLogP:  4.32
XLogP:  5.959
# Rotatable Bonds:  18
Polar Surface Area:  123.66
# H-Bond Aceptor:  4
# H-Bond Donor:  0
# Rings:  5
# Heavy Atoms:  46

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs