Natural Product: NPC119929

Natural Product ID:  NPC119929
Common Name:   6-Methoxysorigenin
IUPAC Name:   8,9-dihydroxy-6-methoxy-3H-benzo[f][2]benzofuran-1-one
Synonyms:   6-Methoxysorigenin
Molecular Formula:   C13H10O5
Standard InCHIKey:  HOHPIALGJUPOAZ-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C13H10O5/c1-17-8-3-6-2-7-5-18-13(16)11(7)12(15)10(6)9(14)4-8/h2-4,14-15H,5H2,1H3
Canonical SMILES:  COc1cc(O)c2c(c1)cc1c(c2O)C(=O)OC1
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
NPO23980 Rhamnus nakaharai Species Rhamnaceae Eukaryota PMID[8691213]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Activity = 88.1 % Open TG-GATES in vivo data: Organ Weight
NPT2 Others Unspecified Activity = 22.1 % 24697496
NPT2 Others Unspecified Activity = 41.7 % 24697496
NPT2 Others Unspecified Activity = 80 % 12880316

  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 NPC119929 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
0.9459 High Similarity NPC271681
0.9459 High Similarity NPC175978
0.9379 High Similarity NPC75694
0.9371 High Similarity NPC90411
0.9329 High Similarity NPC273483
0.9315 High Similarity NPC163846
0.9315 High Similarity NPC225173
0.9306 High Similarity NPC182255
0.9306 High Similarity NPC94076
0.9301 High Similarity NPC165172
0.9257 High Similarity NPC291049
0.9257 High Similarity NPC233267
0.9252 High Similarity NPC8817
0.9252 High Similarity NPC125801
0.9252 High Similarity NPC137296
0.9241 High Similarity NPC84266
0.9231 High Similarity NPC275356
0.92 High Similarity NPC217447
0.9195 High Similarity NPC202595
0.9189 High Similarity NPC2569
0.9189 High Similarity NPC172329
0.9189 High Similarity NPC105415
0.9184 High Similarity NPC470357
0.9145 High Similarity NPC146211
0.9145 High Similarity NPC180924
0.9133 High Similarity NPC133856
0.9122 High Similarity NPC166583
0.9122 High Similarity NPC7943
0.9122 High Similarity NPC53362
0.9122 High Similarity NPC22005
0.9122 High Similarity NPC123202
0.9091 High Similarity NPC135837
0.9091 High Similarity NPC143050
0.9085 High Similarity NPC263483
0.9085 High Similarity NPC164110
0.9085 High Similarity NPC212967
0.9085 High Similarity NPC96342
0.9085 High Similarity NPC246647
0.9079 High Similarity NPC149618
0.9079 High Similarity NPC89625
0.9067 High Similarity NPC325983
0.9067 High Similarity NPC147735
0.9067 High Similarity NPC179178
0.906 High Similarity NPC7025
0.906 High Similarity NPC256672
0.906 High Similarity NPC27221
0.9054 High Similarity NPC260946
0.9054 High Similarity NPC267509
0.9048 High Similarity NPC470932
0.9048 High Similarity NPC471305
0.9041 High Similarity NPC250755
0.9021 High Similarity NPC158481
0.9007 High Similarity NPC149526
0.9007 High Similarity NPC232645
0.9007 High Similarity NPC72958
0.9007 High Similarity NPC204350
0.9007 High Similarity NPC474417
0.9 High Similarity NPC158338
0.9 High Similarity NPC288036
0.9 High Similarity NPC97029
0.9 High Similarity NPC100985
0.9 High Similarity NPC97028
0.9 High Similarity NPC198927
0.9 High Similarity NPC65589
0.8994 High Similarity NPC477571
0.8994 High Similarity NPC477573
0.8994 High Similarity NPC477572
0.8993 High Similarity NPC56433
0.8993 High Similarity NPC126767
0.8993 High Similarity NPC118027
0.8993 High Similarity NPC289042
0.8993 High Similarity NPC245584
0.8993 High Similarity NPC34802
0.8993 High Similarity NPC190648
0.8993 High Similarity NPC312929
0.8986 High Similarity NPC473692
0.8986 High Similarity NPC134621
0.8986 High Similarity NPC32470
0.898 High Similarity NPC159721
0.898 High Similarity NPC51106
0.898 High Similarity NPC472006
0.898 High Similarity NPC469542
0.8973 High Similarity NPC37530
0.8973 High Similarity NPC67650
0.8973 High Similarity NPC1704
0.8973 High Similarity NPC220106
0.8968 High Similarity NPC470810
0.8968 High Similarity NPC47623
0.8954 High Similarity NPC148938
0.8951 High Similarity NPC182496
0.8951 High Similarity NPC180905
0.8947 High Similarity NPC87708
0.8947 High Similarity NPC40356
0.8947 High Similarity NPC154683
0.894 High Similarity NPC255641
0.894 High Similarity NPC470107
0.894 High Similarity NPC290954
0.894 High Similarity NPC470568
0.894 High Similarity NPC294646
0.8933 High Similarity NPC37139
0.8926 High Similarity NPC237208
0.8926 High Similarity NPC138978
0.8926 High Similarity NPC107625
0.8926 High Similarity NPC473927
0.8919 High Similarity NPC95123
0.8919 High Similarity NPC42540
0.8919 High Similarity NPC151607
0.8919 High Similarity NPC19896
0.8919 High Similarity NPC66404
0.8912 High Similarity NPC105648
0.891 High Similarity NPC117985
0.8904 High Similarity NPC168471
0.8904 High Similarity NPC99441
0.8903 High Similarity NPC45846
0.8889 High Similarity NPC472799
0.8889 High Similarity NPC169990
0.8889 High Similarity NPC235333
0.8889 High Similarity NPC50455
0.8889 High Similarity NPC210942
0.8882 High Similarity NPC115324
0.8882 High Similarity NPC470569
0.8882 High Similarity NPC240768
0.8882 High Similarity NPC258249
0.8882 High Similarity NPC200773
0.8882 High Similarity NPC58668
0.8882 High Similarity NPC106372
0.8882 High Similarity NPC478148
0.8875 High Similarity NPC17219
0.8874 High Similarity NPC70764
0.8874 High Similarity NPC329933
0.8868 High Similarity NPC473094
0.8867 High Similarity NPC71055
0.8859 High Similarity NPC29577
0.8854 High Similarity NPC144843
0.8851 High Similarity NPC471731
0.8844 High Similarity NPC149533
0.8836 High Similarity NPC88269
0.8831 High Similarity NPC199926
0.8831 High Similarity NPC213936
0.8831 High Similarity NPC297531
0.8824 High Similarity NPC207624
0.8816 High Similarity NPC295036
0.8816 High Similarity NPC96501
0.8816 High Similarity NPC158866
0.8816 High Similarity NPC150928
0.8812 High Similarity NPC473095
0.8812 High Similarity NPC473096
0.8811 High Similarity NPC153783
0.8808 High Similarity NPC216624
0.8808 High Similarity NPC153417
0.8808 High Similarity NPC470359
0.8808 High Similarity NPC5537
0.8805 High Similarity NPC477835
0.8797 High Similarity NPC156082
0.879 High Similarity NPC24761
0.8784 High Similarity NPC18714
0.8784 High Similarity NPC49108
0.8784 High Similarity NPC469579
0.8784 High Similarity NPC322112
0.8784 High Similarity NPC82913
0.8784 High Similarity NPC471733
0.8784 High Similarity NPC297985
0.8784 High Similarity NPC474385
0.8782 High Similarity NPC474373
0.8782 High Similarity NPC470339
0.8782 High Similarity NPC324736
0.8776 High Similarity NPC472601
0.8776 High Similarity NPC155205
0.8776 High Similarity NPC472600
0.8774 High Similarity NPC150227
0.8773 High Similarity NPC324220
0.8773 High Similarity NPC312630
0.8766 High Similarity NPC183874
0.8766 High Similarity NPC477669
0.8766 High Similarity NPC208806
0.8766 High Similarity NPC135522
0.8766 High Similarity NPC477691
0.8766 High Similarity NPC329844
0.8766 High Similarity NPC192189
0.8759 High Similarity NPC235115
0.8758 High Similarity NPC170169
0.8758 High Similarity NPC193976
0.8758 High Similarity NPC23668
0.8758 High Similarity NPC230848
0.8758 High Similarity NPC227166
0.8758 High Similarity NPC39819
0.8758 High Similarity NPC70016
0.8758 High Similarity NPC215921
0.875 High Similarity NPC270160
0.875 High Similarity NPC77325
0.875 High Similarity NPC476684
0.875 High Similarity NPC175943
0.875 High Similarity NPC178202
0.875 High Similarity NPC237440
0.875 High Similarity NPC4423
0.8742 High Similarity NPC17816
0.8742 High Similarity NPC112981
0.8733 High Similarity NPC28632
0.8733 High Similarity NPC131766
0.8726 High Similarity NPC472055

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC119929 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
0.9379 High Similarity NPD2533 Approved
0.9379 High Similarity NPD2534 Approved
0.9379 High Similarity NPD2532 Approved
0.8966 High Similarity NPD970 Clinical (unspecified phase)
0.8854 High Similarity NPD6232 Discontinued
0.8688 High Similarity NPD7473 Discontinued
0.8645 High Similarity NPD7819 Suspended
0.8616 High Similarity NPD5711 Approved
0.8616 High Similarity NPD5710 Approved
0.8553 High Similarity NPD6959 Discontinued
0.8493 Intermediate Similarity NPD1607 Approved
0.8378 Intermediate Similarity NPD1510 Phase 2
0.8378 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.8377 Intermediate Similarity NPD920 Approved
0.8366 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8365 Intermediate Similarity NPD3749 Approved
0.8356 Intermediate Similarity NPD1240 Approved
0.8322 Intermediate Similarity NPD2935 Discontinued
0.8322 Intermediate Similarity NPD1551 Phase 2
0.8291 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8278 Intermediate Similarity NPD1243 Approved
0.8278 Intermediate Similarity NPD2800 Approved
0.8269 Intermediate Similarity NPD3226 Approved
0.8267 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.8267 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.8247 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.8242 Intermediate Similarity NPD5844 Phase 1
0.8212 Intermediate Similarity NPD1549 Phase 2
0.8187 Intermediate Similarity NPD7768 Phase 2
0.8165 Intermediate Similarity NPD7411 Suspended
0.8146 Intermediate Similarity NPD2346 Discontinued
0.8137 Intermediate Similarity NPD7075 Discontinued
0.8117 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.8113 Intermediate Similarity NPD1934 Approved
0.8105 Intermediate Similarity NPD3750 Approved
0.8101 Intermediate Similarity NPD4380 Phase 2
0.8101 Intermediate Similarity NPD6599 Discontinued
0.8095 Intermediate Similarity NPD6559 Discontinued
0.8075 Intermediate Similarity NPD3882 Suspended
0.8065 Intermediate Similarity NPD7390 Discontinued
0.8065 Intermediate Similarity NPD1511 Approved
0.8063 Intermediate Similarity NPD1465 Phase 2
0.8063 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8061 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.8012 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7975 Intermediate Similarity NPD919 Approved
0.7963 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7962 Intermediate Similarity NPD1512 Approved
0.795 Intermediate Similarity NPD2801 Approved
0.7949 Intermediate Similarity NPD6799 Approved
0.7939 Intermediate Similarity NPD7229 Phase 3
0.7933 Intermediate Similarity NPD230 Phase 1
0.7931 Intermediate Similarity NPD1283 Approved
0.7927 Intermediate Similarity NPD5494 Approved
0.7901 Intermediate Similarity NPD3817 Phase 2
0.7898 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7888 Intermediate Similarity NPD6801 Discontinued
0.7888 Intermediate Similarity NPD37 Approved
0.7871 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7866 Intermediate Similarity NPD6234 Discontinued
0.7857 Intermediate Similarity NPD3818 Discontinued
0.7853 Intermediate Similarity NPD4967 Phase 2
0.7853 Intermediate Similarity NPD4966 Approved
0.7853 Intermediate Similarity NPD4965 Approved
0.7852 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7843 Intermediate Similarity NPD5406 Approved
0.7843 Intermediate Similarity NPD5404 Approved
0.7843 Intermediate Similarity NPD5405 Approved
0.7843 Intermediate Similarity NPD2796 Approved
0.7843 Intermediate Similarity NPD5408 Approved
0.7806 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7792 Intermediate Similarity NPD2344 Approved
0.7784 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD3748 Approved
0.7778 Intermediate Similarity NPD2799 Discontinued
0.7771 Intermediate Similarity NPD1247 Approved
0.7756 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7756 Intermediate Similarity NPD4628 Phase 3
0.7733 Intermediate Similarity NPD3764 Approved
0.7733 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7724 Intermediate Similarity NPD1281 Approved
0.7719 Intermediate Similarity NPD5953 Discontinued
0.7706 Intermediate Similarity NPD7286 Phase 2
0.7702 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7697 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7673 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.767 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7647 Intermediate Similarity NPD6651 Approved
0.7643 Intermediate Similarity NPD7003 Approved
0.7635 Intermediate Similarity NPD1203 Approved
0.7633 Intermediate Similarity NPD6166 Phase 2
0.7633 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7633 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7632 Intermediate Similarity NPD2979 Phase 3
0.7632 Intermediate Similarity NPD943 Approved
0.7616 Intermediate Similarity NPD2313 Discontinued
0.7613 Intermediate Similarity NPD6100 Approved
0.7613 Intermediate Similarity NPD6099 Approved
0.7602 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7595 Intermediate Similarity NPD2309 Approved
0.7576 Intermediate Similarity NPD5402 Approved
0.7564 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7558 Intermediate Similarity NPD7074 Phase 3
0.7551 Intermediate Similarity NPD1608 Approved
0.755 Intermediate Similarity NPD4625 Phase 3
0.7544 Intermediate Similarity NPD7228 Approved
0.754 Intermediate Similarity NPD8151 Discontinued
0.7529 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7529 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7517 Intermediate Similarity NPD1470 Approved
0.7517 Intermediate Similarity NPD1164 Approved
0.75 Intermediate Similarity NPD411 Approved
0.75 Intermediate Similarity NPD7054 Approved
0.7486 Intermediate Similarity NPD8312 Approved
0.7486 Intermediate Similarity NPD8313 Approved
0.7483 Intermediate Similarity NPD1201 Approved
0.7471 Intermediate Similarity NPD3926 Phase 2
0.7469 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7468 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7468 Intermediate Similarity NPD447 Suspended
0.7466 Intermediate Similarity NPD4626 Approved
0.7457 Intermediate Similarity NPD7472 Approved
0.7456 Intermediate Similarity NPD7199 Phase 2
0.7453 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7452 Intermediate Similarity NPD1471 Phase 3
0.7448 Intermediate Similarity NPD9545 Approved
0.7442 Intermediate Similarity NPD7177 Discontinued
0.7442 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7436 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7432 Intermediate Similarity NPD9717 Approved
0.7414 Intermediate Similarity NPD6797 Phase 2
0.7414 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7397 Intermediate Similarity NPD1651 Approved
0.7397 Intermediate Similarity NPD5691 Approved
0.7391 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7389 Intermediate Similarity NPD2438 Suspended
0.7378 Intermediate Similarity NPD7458 Discontinued
0.7374 Intermediate Similarity NPD4287 Approved
0.7371 Intermediate Similarity NPD7251 Discontinued
0.7368 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD6832 Phase 2
0.7366 Intermediate Similarity NPD7435 Discontinued
0.7365 Intermediate Similarity NPD422 Phase 1
0.7362 Intermediate Similarity NPD5403 Approved
0.736 Intermediate Similarity NPD8150 Discontinued
0.7347 Intermediate Similarity NPD17 Approved
0.7346 Intermediate Similarity NPD5401 Approved
0.733 Intermediate Similarity NPD7808 Phase 3
0.7325 Intermediate Similarity NPD4308 Phase 3
0.7325 Intermediate Similarity NPD7033 Discontinued
0.731 Intermediate Similarity NPD9493 Approved
0.7303 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7301 Intermediate Similarity NPD6273 Approved
0.7297 Intermediate Similarity NPD6776 Approved
0.7297 Intermediate Similarity NPD6781 Approved
0.7297 Intermediate Similarity NPD6777 Approved
0.7297 Intermediate Similarity NPD6782 Approved
0.7297 Intermediate Similarity NPD6779 Approved
0.7297 Intermediate Similarity NPD6778 Approved
0.7297 Intermediate Similarity NPD6780 Approved
0.729 Intermediate Similarity NPD4060 Phase 1
0.7289 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7278 Intermediate Similarity NPD2531 Phase 2
0.7277 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7277 Intermediate Similarity NPD7783 Phase 2
0.7273 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7263 Intermediate Similarity NPD8434 Phase 2
0.7262 Intermediate Similarity NPD4288 Approved
0.725 Intermediate Similarity NPD2654 Approved
0.7248 Intermediate Similarity NPD1611 Approved
0.7248 Intermediate Similarity NPD1610 Phase 2
0.7241 Intermediate Similarity NPD3751 Discontinued
0.72 Intermediate Similarity NPD9269 Phase 2
0.7193 Intermediate Similarity NPD6746 Phase 2
0.7181 Intermediate Similarity NPD7698 Approved
0.7181 Intermediate Similarity NPD7697 Approved
0.7181 Intermediate Similarity NPD7696 Phase 3
0.7175 Intermediate Similarity NPD7240 Approved
0.7171 Intermediate Similarity NPD2797 Approved
0.717 Intermediate Similarity NPD4476 Approved
0.717 Intermediate Similarity NPD4477 Approved
0.7168 Intermediate Similarity NPD5242 Approved
0.7162 Intermediate Similarity NPD9268 Approved
0.7161 Intermediate Similarity NPD3268 Approved
0.7143 Intermediate Similarity NPD7870 Phase 2
0.7143 Intermediate Similarity NPD4908 Phase 1
0.7143 Intermediate Similarity NPD7871 Phase 2
0.7135 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD7874 Approved
0.7125 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7125 Intermediate Similarity NPD6004 Phase 3
0.7125 Intermediate Similarity NPD6002 Phase 3
0.7125 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7125 Intermediate Similarity NPD6005 Phase 3
0.7124 Intermediate Similarity NPD2798 Approved
0.7124 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7124 Intermediate Similarity NPD1019 Discontinued
0.7114 Intermediate Similarity NPD1778 Approved
0.7112 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.711 Intermediate Similarity NPD3787 Discontinued

Structure

External Identifiers

PubChem CID   12442904
ChEMBL   CHEMBL455630
ZINC  

Physicochemical Properties

Molecular Weight:  246.05
ALogP:  -1.0519
MLogP:  2.34
XLogP:  1.049
# Rotatable Bonds:  4
Polar Surface Area:  75.99
# H-Bond Aceptor:  2
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  18

Download Data

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