Natural Product: NPC321387

Natural Product ID:  NPC321387
Common Name:   Ochrocarpin F
IUPAC Name:   [(1R)-1-[5-hydroxy-8-(2-hydroxypropan-2-yl)-6-[(2S)-2-methylbutanoyl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-4-yl]propyl] acetate
Synonyms:   Ochrocarpin F
Molecular Formula:   C24H30O8
Standard InCHIKey:  VBJCSMQHVABALD-DNMUGYJGSA-N
Standard InCHI:  InChI=1S/C24H30O8/c1-7-11(3)20(27)19-21(28)18-13(15(8-2)30-12(4)25)10-17(26)32-22(18)14-9-16(24(5,6)29)31-23(14)19/h10-11,15-16,28-29H,7-9H2,1-6H3/t11-,15+,16?/m0/s1
Canonical SMILES:  CC[C@H](c1cc(=O)oc2c1c(O)c(C(=O)[C@H](CC)C)c1c2CC(O1)C(O)(C)C)OC(=O)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
NPO369 Ochrocarpos punctatus Species Clusiaceae Eukaryota bark PMID[12141854]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT179 Cell Line A2780 Homo sapiens IC50 = 8.9 ug/ml 12141854

  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 NPC321387 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 NPC327059
0.9861 High Similarity NPC470908
0.953 High Similarity NPC474609
0.953 High Similarity NPC129053
0.953 High Similarity NPC109967
0.953 High Similarity NPC474738
0.953 High Similarity NPC469936
0.953 High Similarity NPC321372
0.953 High Similarity NPC475797
0.953 High Similarity NPC78554
0.951 High Similarity NPC472344
0.951 High Similarity NPC470556
0.9463 High Similarity NPC279218
0.9463 High Similarity NPC108937
0.9444 High Similarity NPC470909
0.9444 High Similarity NPC474939
0.9444 High Similarity NPC96216
0.9444 High Similarity NPC307895
0.9444 High Similarity NPC470553
0.9441 High Similarity NPC74397
0.9379 High Similarity NPC133060
0.9379 High Similarity NPC288910
0.9379 High Similarity NPC118059
0.9379 High Similarity NPC470554
0.9375 High Similarity NPC294432
0.9375 High Similarity NPC112829
0.9324 High Similarity NPC476509
0.932 High Similarity NPC472345
0.9315 High Similarity NPC470910
0.931 High Similarity NPC18886
0.931 High Similarity NPC33653
0.931 High Similarity NPC184738
0.9262 High Similarity NPC290671
0.9252 High Similarity NPC285748
0.9252 High Similarity NPC202494
0.9231 High Similarity NPC183639
0.9231 High Similarity NPC199458
0.9205 High Similarity NPC469934
0.92 High Similarity NPC256141
0.9195 High Similarity NPC180351
0.9167 High Similarity NPC241975
0.9167 High Similarity NPC19476
0.9161 High Similarity NPC138047
0.9161 High Similarity NPC474624
0.9161 High Similarity NPC131782
0.9156 High Similarity NPC92589
0.9133 High Similarity NPC471675
0.9128 High Similarity NPC307052
0.9128 High Similarity NPC139966
0.9122 High Similarity NPC177995
0.9122 High Similarity NPC473133
0.9122 High Similarity NPC47388
0.9122 High Similarity NPC470670
0.9122 High Similarity NPC474108
0.9116 High Similarity NPC297788
0.911 High Similarity NPC276565
0.9097 High Similarity NPC219584
0.9097 High Similarity NPC470083
0.9073 High Similarity NPC31627
0.9073 High Similarity NPC476238
0.9073 High Similarity NPC327269
0.9067 High Similarity NPC472421
0.9067 High Similarity NPC474735
0.906 High Similarity NPC10097
0.9041 High Similarity NPC470555
0.9026 High Similarity NPC470607
0.9007 High Similarity NPC474772
0.9007 High Similarity NPC472423
0.9007 High Similarity NPC472636
0.9007 High Similarity NPC474744
0.8993 High Similarity NPC85773
0.8993 High Similarity NPC91902
0.8986 High Similarity NPC294365
0.8986 High Similarity NPC316535
0.8981 High Similarity NPC473908
0.898 High Similarity NPC130206
0.8973 High Similarity NPC221173
0.8961 High Similarity NPC470606
0.8947 High Similarity NPC285623
0.8947 High Similarity NPC473996
0.894 High Similarity NPC38775
0.8926 High Similarity NPC470322
0.8926 High Similarity NPC474302
0.8919 High Similarity NPC112749
0.8912 High Similarity NPC171870
0.891 High Similarity NPC14822
0.8904 High Similarity NPC472343
0.8896 High Similarity NPC17521
0.8889 High Similarity NPC101752
0.8882 High Similarity NPC472580
0.8874 High Similarity NPC164205
0.8874 High Similarity NPC104236
0.8874 High Similarity NPC19238
0.8867 High Similarity NPC14875
0.8859 High Similarity NPC1886
0.8859 High Similarity NPC196137
0.8859 High Similarity NPC171656
0.8846 High Similarity NPC169
0.8846 High Similarity NPC303210
0.8846 High Similarity NPC49009
0.8846 High Similarity NPC95472
0.8846 High Similarity NPC239270
0.8836 High Similarity NPC131130
0.8831 High Similarity NPC470603
0.8831 High Similarity NPC470604
0.8831 High Similarity NPC470605
0.8831 High Similarity NPC470681
0.8828 High Similarity NPC470983
0.8828 High Similarity NPC470982
0.8824 High Similarity NPC161881
0.8824 High Similarity NPC150123
0.8824 High Similarity NPC56232
0.8824 High Similarity NPC244583
0.8824 High Similarity NPC477957
0.8824 High Similarity NPC10807
0.8812 High Similarity NPC102810
0.8808 High Similarity NPC161864
0.8808 High Similarity NPC208303
0.8808 High Similarity NPC168085
0.88 High Similarity NPC181388
0.88 High Similarity NPC154217
0.8797 High Similarity NPC91288
0.8792 High Similarity NPC470296
0.8792 High Similarity NPC196459
0.8792 High Similarity NPC112791
0.8792 High Similarity NPC94794
0.8792 High Similarity NPC188632
0.8792 High Similarity NPC87609
0.8784 High Similarity NPC201820
0.8776 High Similarity NPC471697
0.8776 High Similarity NPC240305
0.8776 High Similarity NPC139554
0.8776 High Similarity NPC23257
0.8774 High Similarity NPC20530
0.8774 High Similarity NPC215917
0.8774 High Similarity NPC10754
0.8766 High Similarity NPC223701
0.8766 High Similarity NPC248793
0.8766 High Similarity NPC180301
0.8766 High Similarity NPC268950
0.8766 High Similarity NPC469405
0.8766 High Similarity NPC108706
0.8766 High Similarity NPC211158
0.8766 High Similarity NPC87304
0.8766 High Similarity NPC472583
0.8766 High Similarity NPC78021
0.8766 High Similarity NPC7989
0.8758 High Similarity NPC312549
0.8758 High Similarity NPC474023
0.8758 High Similarity NPC477897
0.8758 High Similarity NPC289774
0.8758 High Similarity NPC209142
0.8758 High Similarity NPC263384
0.8758 High Similarity NPC471677
0.8758 High Similarity NPC471676
0.8758 High Similarity NPC209846
0.8758 High Similarity NPC472420
0.8758 High Similarity NPC474021
0.8758 High Similarity NPC190217
0.8758 High Similarity NPC244577
0.8758 High Similarity NPC328740
0.8758 High Similarity NPC472422
0.875 High Similarity NPC469932
0.875 High Similarity NPC317492
0.875 High Similarity NPC164299
0.8742 High Similarity NPC259007
0.8742 High Similarity NPC329215
0.8742 High Similarity NPC140120
0.8742 High Similarity NPC204088
0.8742 High Similarity NPC249942
0.8742 High Similarity NPC297886
0.8733 High Similarity NPC469953
0.8733 High Similarity NPC470857
0.8733 High Similarity NPC178627
0.8733 High Similarity NPC469935
0.8733 High Similarity NPC71184
0.8733 High Similarity NPC206212
0.8733 High Similarity NPC224714
0.8726 High Similarity NPC328102
0.8725 High Similarity NPC36181
0.8718 High Similarity NPC269495
0.8716 High Similarity NPC16455
0.8716 High Similarity NPC470856
0.8716 High Similarity NPC471587
0.8716 High Similarity NPC307990
0.871 High Similarity NPC48579
0.871 High Similarity NPC304745
0.871 High Similarity NPC217706
0.871 High Similarity NPC111341
0.871 High Similarity NPC304207
0.871 High Similarity NPC207809
0.871 High Similarity NPC473241
0.871 High Similarity NPC259710
0.8707 High Similarity NPC470672
0.8707 High Similarity NPC248995
0.8707 High Similarity NPC470668
0.8707 High Similarity NPC254168
0.8707 High Similarity NPC272844
0.8707 High Similarity NPC470671
0.8707 High Similarity NPC470669

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC321387 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
0.8718 High Similarity NPD7075 Discontinued
0.8609 High Similarity NPD2533 Approved
0.8609 High Similarity NPD2532 Approved
0.8609 High Similarity NPD2534 Approved
0.8581 High Similarity NPD6801 Discontinued
0.8571 High Similarity NPD4380 Phase 2
0.8526 High Similarity NPD7096 Clinical (unspecified phase)
0.8523 High Similarity NPD2800 Approved
0.8487 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8408 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8366 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.8365 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8301 Intermediate Similarity NPD6799 Approved
0.828 Intermediate Similarity NPD7411 Suspended
0.8278 Intermediate Similarity NPD1243 Approved
0.8258 Intermediate Similarity NPD920 Approved
0.8243 Intermediate Similarity NPD6651 Approved
0.8242 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.8239 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.8239 Intermediate Similarity NPD3817 Phase 2
0.8228 Intermediate Similarity NPD1934 Approved
0.8212 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.8182 Intermediate Similarity NPD3818 Discontinued
0.8176 Intermediate Similarity NPD7819 Suspended
0.8146 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.8146 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.8129 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.8117 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.8101 Intermediate Similarity NPD6599 Discontinued
0.8095 Intermediate Similarity NPD6559 Discontinued
0.8092 Intermediate Similarity NPD1549 Phase 2
0.8079 Intermediate Similarity NPD2796 Approved
0.8075 Intermediate Similarity NPD3882 Suspended
0.8075 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8063 Intermediate Similarity NPD2801 Approved
0.8054 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.8054 Intermediate Similarity NPD5124 Phase 1
0.8025 Intermediate Similarity NPD5403 Approved
0.8013 Intermediate Similarity NPD1510 Phase 2
0.7975 Intermediate Similarity NPD919 Approved
0.7952 Intermediate Similarity NPD6166 Phase 2
0.7952 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7952 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7952 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7949 Intermediate Similarity NPD1511 Approved
0.7939 Intermediate Similarity NPD5711 Approved
0.7939 Intermediate Similarity NPD5710 Approved
0.7927 Intermediate Similarity NPD5494 Approved
0.7917 Intermediate Similarity NPD7054 Approved
0.7914 Intermediate Similarity NPD3749 Approved
0.7904 Intermediate Similarity NPD7473 Discontinued
0.7901 Intermediate Similarity NPD5402 Approved
0.7898 Intermediate Similarity NPD5401 Approved
0.7879 Intermediate Similarity NPD6959 Discontinued
0.787 Intermediate Similarity NPD7074 Phase 3
0.787 Intermediate Similarity NPD7472 Approved
0.7867 Intermediate Similarity NPD1240 Approved
0.7853 Intermediate Similarity NPD7768 Phase 2
0.7848 Intermediate Similarity NPD1512 Approved
0.7836 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7831 Intermediate Similarity NPD6232 Discontinued
0.7824 Intermediate Similarity NPD6797 Phase 2
0.7806 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD7251 Discontinued
0.7763 Intermediate Similarity NPD1607 Approved
0.7756 Intermediate Similarity NPD4628 Phase 3
0.7756 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7756 Intermediate Similarity NPD3750 Approved
0.7733 Intermediate Similarity NPD7808 Phase 3
0.7733 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7727 Intermediate Similarity NPD2935 Discontinued
0.7727 Intermediate Similarity NPD1551 Phase 2
0.7719 Intermediate Similarity NPD5953 Discontinued
0.7706 Intermediate Similarity NPD5844 Phase 1
0.7662 Intermediate Similarity NPD2799 Discontinued
0.763 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7616 Intermediate Similarity NPD2313 Discontinued
0.7616 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7602 Intermediate Similarity NPD7286 Phase 2
0.756 Intermediate Similarity NPD1247 Approved
0.7548 Intermediate Similarity NPD7033 Discontinued
0.7532 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7515 Intermediate Similarity NPD1465 Phase 2
0.7514 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD3226 Approved
0.7483 Intermediate Similarity NPD422 Phase 1
0.7483 Intermediate Similarity NPD6832 Phase 2
0.7468 Intermediate Similarity NPD230 Phase 1
0.7458 Intermediate Similarity NPD8434 Phase 2
0.7452 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7452 Intermediate Similarity NPD6004 Phase 3
0.7452 Intermediate Similarity NPD6005 Phase 3
0.7452 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7452 Intermediate Similarity NPD6002 Phase 3
0.744 Intermediate Similarity NPD6234 Discontinued
0.7436 Intermediate Similarity NPD3748 Approved
0.7432 Intermediate Similarity NPD9717 Approved
0.74 Intermediate Similarity NPD1203 Approved
0.7389 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7386 Intermediate Similarity NPD3268 Approved
0.7362 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7358 Intermediate Similarity NPD1652 Phase 2
0.7355 Intermediate Similarity NPD6355 Discontinued
0.7355 Intermediate Similarity NPD447 Suspended
0.7353 Intermediate Similarity NPD7199 Phase 2
0.7349 Intermediate Similarity NPD37 Approved
0.7342 Intermediate Similarity NPD2344 Approved
0.7342 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7326 Intermediate Similarity NPD2403 Approved
0.7321 Intermediate Similarity NPD4965 Approved
0.7321 Intermediate Similarity NPD4966 Approved
0.7321 Intermediate Similarity NPD4967 Phase 2
0.7296 Intermediate Similarity NPD2424 Discontinued
0.7289 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7288 Intermediate Similarity NPD8312 Approved
0.7288 Intermediate Similarity NPD8313 Approved
0.7285 Intermediate Similarity NPD2797 Approved
0.7278 Intermediate Similarity NPD6099 Approved
0.7278 Intermediate Similarity NPD6100 Approved
0.7267 Intermediate Similarity NPD3926 Phase 2
0.7267 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD2654 Approved
0.7249 Intermediate Similarity NPD7584 Approved
0.7235 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.7233 Intermediate Similarity NPD2346 Discontinued
0.7215 Intermediate Similarity NPD4308 Phase 3
0.7213 Intermediate Similarity NPD4360 Phase 2
0.7213 Intermediate Similarity NPD4363 Phase 3
0.7212 Intermediate Similarity NPD1653 Approved
0.7209 Intermediate Similarity NPD7229 Phase 3
0.7207 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7182 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7174 Intermediate Similarity NPD4361 Phase 2
0.7174 Intermediate Similarity NPD4362 Clinical (unspecified phase)
0.7169 Intermediate Similarity NPD7458 Discontinued
0.7161 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7161 Intermediate Similarity NPD6798 Discontinued
0.7161 Intermediate Similarity NPD1296 Phase 2
0.716 Intermediate Similarity NPD2309 Approved
0.7143 Intermediate Similarity NPD7228 Approved
0.7134 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7124 Intermediate Similarity NPD1019 Discontinued
0.712 Intermediate Similarity NPD7585 Approved
0.7101 Intermediate Similarity NPD8455 Phase 2
0.7095 Intermediate Similarity NPD9545 Approved
0.7091 Intermediate Similarity NPD5049 Phase 3
0.7088 Intermediate Similarity NPD4287 Approved
0.7073 Intermediate Similarity NPD7390 Discontinued
0.7073 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7072 Intermediate Similarity NPD8150 Discontinued
0.707 Intermediate Similarity NPD943 Approved
0.707 Intermediate Similarity NPD4060 Phase 1
0.7068 Intermediate Similarity NPD7583 Approved
0.7062 Intermediate Similarity NPD1729 Discontinued
0.7059 Intermediate Similarity NPD3267 Approved
0.7059 Intermediate Similarity NPD3266 Approved
0.7051 Intermediate Similarity NPD411 Approved
0.7045 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7032 Intermediate Similarity NPD4908 Phase 1
0.7029 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.7013 Intermediate Similarity NPD2798 Approved
0.7013 Intermediate Similarity NPD5647 Approved
0.701 Intermediate Similarity NPD7783 Phase 2
0.701 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD6233 Phase 2
0.7 Intermediate Similarity NPD7435 Discontinued
0.7 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.6995 Remote Similarity NPD8151 Discontinued
0.6993 Remote Similarity NPD3225 Approved
0.6983 Remote Similarity NPD7685 Pre-registration
0.6974 Remote Similarity NPD1608 Approved
0.6964 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6962 Remote Similarity NPD1613 Approved
0.6962 Remote Similarity NPD4307 Phase 2
0.6962 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6959 Remote Similarity NPD9493 Approved
0.6959 Remote Similarity NPD5353 Approved
0.6951 Remote Similarity NPD3887 Approved
0.6951 Remote Similarity NPD2354 Approved
0.6951 Remote Similarity NPD6190 Approved
0.6949 Remote Similarity NPD3751 Discontinued
0.6943 Remote Similarity NPD3764 Approved
0.6937 Remote Similarity NPD7097 Phase 1
0.6931 Remote Similarity NPD6777 Approved
0.6931 Remote Similarity NPD6776 Approved
0.6931 Remote Similarity NPD6782 Approved
0.6931 Remote Similarity NPD6780 Approved
0.6931 Remote Similarity NPD6781 Approved
0.6931 Remote Similarity NPD6779 Approved
0.6931 Remote Similarity NPD6778 Approved
0.6918 Remote Similarity NPD1933 Approved
0.6914 Remote Similarity NPD3787 Discontinued
0.6908 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6908 Remote Similarity NPD1610 Phase 2
0.6901 Remote Similarity NPD5761 Phase 2
0.6901 Remote Similarity NPD5760 Phase 2
0.6886 Remote Similarity NPD6273 Approved
0.6882 Remote Similarity NPD5889 Approved

Structure

External Identifiers

PubChem CID   10343524
ChEMBL   CHEMBL519872
ZINC  

Physicochemical Properties

Molecular Weight:  446.19
ALogP:  -0.9682
MLogP:  3.22
XLogP:  2.614
# Rotatable Bonds:  16
Polar Surface Area:  119.36
# H-Bond Aceptor:  5
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  32

Download Data

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