Natural Product: NPC476279

Natural Product ID:  NPC476279
Common Name:   Curtisian T
IUPAC Name:   [4-[(3R)-3-acetyloxybutanoyl]oxy-2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)phenyl] benzoate
Synonyms:   Curtisian T
Molecular Formula:   C31H26O10
Standard InCHIKey:  PCPNXNRHKXNURV-QGZVFWFLSA-N
Standard InCHI:  InChI=1S/C31H26O10/c1-17(39-18(2)32)16-24(35)40-29-25(19-8-12-22(33)13-9-19)28(37)30(41-31(38)21-6-4-3-5-7-21)26(27(29)36)20-10-14-23(34)15-11-20/h3-15,17,33-34,36-37H,16H2,1-2H3/t17-/m1/s1
Canonical SMILES:  O=C(Oc1c(c2ccc(cc2)O)c(O)c(c(c1O)c1ccc(cc1)O)OC(=O)c1ccccc1)C[C@H](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
NPO16348 Paxillus curtisii Species Paxillaceae Eukaryota fruiting bodies Odae National Parks, Korea PMID[19450986]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 > 500000 nM PubChem BioAssay data set
NPT1 Others Radical scavenging activity IC50 > 500000 nM 16417306
NPT2 Others Unspecified IC50 = 8430 nM 11277749

  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 NPC476279 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
0.956 High Similarity NPC55121
0.956 High Similarity NPC174311
0.9317 High Similarity NPC476200
0.9317 High Similarity NPC192258
0.9304 High Similarity NPC292385
0.9304 High Similarity NPC125709
0.9241 High Similarity NPC7178
0.9241 High Similarity NPC62903
0.9182 High Similarity NPC155015
0.9182 High Similarity NPC142479
0.913 High Similarity NPC287458
0.913 High Similarity NPC36354
0.9096 High Similarity NPC476365
0.9085 High Similarity NPC142614
0.908 High Similarity NPC476371
0.908 High Similarity NPC476372
0.9074 High Similarity NPC53889
0.9074 High Similarity NPC98892
0.9068 High Similarity NPC36077
0.9062 High Similarity NPC476642
0.9057 High Similarity NPC474656
0.9057 High Similarity NPC476154
0.9053 High Similarity NPC297807
0.9012 High Similarity NPC87317
0.8982 High Similarity NPC180768
0.8976 High Similarity NPC473818
0.8957 High Similarity NPC476373
0.8957 High Similarity NPC24164
0.8953 High Similarity NPC154527
0.8951 High Similarity NPC114179
0.8951 High Similarity NPC156818
0.8951 High Similarity NPC160512
0.8951 High Similarity NPC289322
0.8951 High Similarity NPC68324
0.8951 High Similarity NPC38779
0.8947 High Similarity NPC47883
0.8941 High Similarity NPC98546
0.8929 High Similarity NPC476370
0.8929 High Similarity NPC174700
0.8929 High Similarity NPC158226
0.8924 High Similarity NPC113790
0.8922 High Similarity NPC280493
0.8902 High Similarity NPC216916
0.8902 High Similarity NPC226725
0.8896 High Similarity NPC154304
0.8896 High Similarity NPC190487
0.8889 High Similarity NPC291948
0.8889 High Similarity NPC250436
0.8889 High Similarity NPC318432
0.8889 High Similarity NPC88803
0.8889 High Similarity NPC300845
0.8889 High Similarity NPC104983
0.8876 High Similarity NPC476374
0.8869 High Similarity NPC124470
0.8869 High Similarity NPC109827
0.8862 High Similarity NPC167231
0.8862 High Similarity NPC243877
0.8862 High Similarity NPC14662
0.8862 High Similarity NPC215802
0.8855 High Similarity NPC477840
0.8848 High Similarity NPC42797
0.8848 High Similarity NPC473445
0.8848 High Similarity NPC249070
0.8848 High Similarity NPC219927
0.8848 High Similarity NPC477841
0.8841 High Similarity NPC130955
0.8841 High Similarity NPC188967
0.8834 High Similarity NPC185526
0.8824 High Similarity NPC287243
0.882 High Similarity NPC199773
0.882 High Similarity NPC289968
0.8817 High Similarity NPC81332
0.8817 High Similarity NPC212038
0.8817 High Similarity NPC262580
0.8817 High Similarity NPC271848
0.8817 High Similarity NPC289396
0.8812 High Similarity NPC164527
0.8812 High Similarity NPC225129
0.8812 High Similarity NPC213382
0.881 High Similarity NPC163130
0.881 High Similarity NPC99613
0.881 High Similarity NPC165979
0.881 High Similarity NPC49487
0.88 High Similarity NPC477083
0.88 High Similarity NPC477081
0.8797 High Similarity NPC275125
0.8797 High Similarity NPC97937
0.8797 High Similarity NPC170239
0.8795 High Similarity NPC291977
0.8795 High Similarity NPC272064
0.8795 High Similarity NPC477689
0.8795 High Similarity NPC67959
0.8795 High Similarity NPC45943
0.8793 High Similarity NPC261623
0.8793 High Similarity NPC111490
0.8793 High Similarity NPC469650
0.8788 High Similarity NPC158188
0.878 High Similarity NPC476410
0.878 High Similarity NPC172202
0.878 High Similarity NPC284127
0.8779 High Similarity NPC185275
0.8779 High Similarity NPC324742
0.8772 High Similarity NPC216307
0.8765 High Similarity NPC82217
0.8765 High Similarity NPC216842
0.8765 High Similarity NPC476640
0.8765 High Similarity NPC469888
0.8758 High Similarity NPC264875
0.8758 High Similarity NPC120774
0.8758 High Similarity NPC163598
0.8757 High Similarity NPC91043
0.8757 High Similarity NPC17884
0.8757 High Similarity NPC19273
0.875 High Similarity NPC234331
0.875 High Similarity NPC106334
0.875 High Similarity NPC285527
0.8743 High Similarity NPC469649
0.8743 High Similarity NPC269625
0.8743 High Similarity NPC471788
0.8743 High Similarity NPC260521
0.8743 High Similarity NPC248315
0.8742 High Similarity NPC139839
0.8735 High Similarity NPC471745
0.8735 High Similarity NPC476247
0.8728 High Similarity NPC117668
0.8728 High Similarity NPC8940
0.8727 High Similarity NPC301089
0.8721 High Similarity NPC476619
0.8721 High Similarity NPC476621
0.8721 High Similarity NPC476620
0.8721 High Similarity NPC265380
0.8721 High Similarity NPC476623
0.8721 High Similarity NPC476622
0.8721 High Similarity NPC472387
0.8721 High Similarity NPC476618
0.872 High Similarity NPC183851
0.872 High Similarity NPC99597
0.872 High Similarity NPC474836
0.872 High Similarity NPC474208
0.872 High Similarity NPC63454
0.872 High Similarity NPC222689
0.872 High Similarity NPC35598
0.872 High Similarity NPC108456
0.872 High Similarity NPC475267
0.872 High Similarity NPC210084
0.872 High Similarity NPC48208
0.872 High Similarity NPC162869
0.872 High Similarity NPC156057
0.8706 High Similarity NPC230619
0.8706 High Similarity NPC54098
0.8706 High Similarity NPC247964
0.8706 High Similarity NPC4200
0.8704 High Similarity NPC75069
0.8698 High Similarity NPC475212
0.8693 High Similarity NPC240200
0.8693 High Similarity NPC290289
0.8693 High Similarity NPC223534
0.8693 High Similarity NPC158214
0.869 High Similarity NPC272560
0.869 High Similarity NPC29160
0.869 High Similarity NPC20216
0.8688 High Similarity NPC176903
0.8688 High Similarity NPC30688
0.8683 High Similarity NPC121290
0.8683 High Similarity NPC156082
0.8683 High Similarity NPC234004
0.8675 High Similarity NPC142252
0.8675 High Similarity NPC165970
0.8675 High Similarity NPC66618
0.8675 High Similarity NPC196179
0.8675 High Similarity NPC84324
0.8675 High Similarity NPC305987
0.8675 High Similarity NPC113163
0.8675 High Similarity NPC112418
0.8675 High Similarity NPC288131
0.8675 High Similarity NPC34089
0.8671 High Similarity NPC125617
0.8671 High Similarity NPC471030
0.8671 High Similarity NPC80956
0.8667 High Similarity NPC37502
0.8667 High Similarity NPC40702
0.8667 High Similarity NPC328122
0.8667 High Similarity NPC238381
0.8667 High Similarity NPC83763
0.8667 High Similarity NPC267627
0.8667 High Similarity NPC168616
0.8663 High Similarity NPC472991
0.8663 High Similarity NPC472992
0.8663 High Similarity NPC49667
0.8663 High Similarity NPC8127
0.8663 High Similarity NPC79736
0.8663 High Similarity NPC67629
0.8659 High Similarity NPC472916
0.8659 High Similarity NPC227062
0.8659 High Similarity NPC54928
0.8659 High Similarity NPC235165
0.8659 High Similarity NPC255106
0.8655 High Similarity NPC472993
0.8655 High Similarity NPC175230
0.8655 High Similarity NPC88560

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC476279 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
0.9036 High Similarity NPD5844 Phase 1
0.8889 High Similarity NPD4868 Clinical (unspecified phase)
0.8631 High Similarity NPD6168 Clinical (unspecified phase)
0.8631 High Similarity NPD6166 Phase 2
0.8631 High Similarity NPD6167 Clinical (unspecified phase)
0.8629 High Similarity NPD8397 Clinical (unspecified phase)
0.8623 High Similarity NPD6232 Discontinued
0.8589 High Similarity NPD1934 Approved
0.8537 High Similarity NPD2801 Approved
0.8488 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.8471 Intermediate Similarity NPD7473 Discontinued
0.8434 Intermediate Similarity NPD7768 Phase 2
0.8424 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8424 Intermediate Similarity NPD1465 Phase 2
0.8391 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8373 Intermediate Similarity NPD3817 Phase 2
0.8343 Intermediate Similarity NPD6959 Discontinued
0.8324 Intermediate Similarity NPD7074 Phase 3
0.8314 Intermediate Similarity NPD3818 Discontinued
0.8266 Intermediate Similarity NPD7054 Approved
0.8263 Intermediate Similarity NPD5402 Approved
0.8229 Intermediate Similarity NPD6559 Discontinued
0.8218 Intermediate Similarity NPD7472 Approved
0.8214 Intermediate Similarity NPD3882 Suspended
0.8198 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.8176 Intermediate Similarity NPD5494 Approved
0.8166 Intermediate Similarity NPD7075 Discontinued
0.8098 Intermediate Similarity NPD1511 Approved
0.8084 Intermediate Similarity NPD7411 Suspended
0.8068 Intermediate Similarity NPD6797 Phase 2
0.8059 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8024 Intermediate Similarity NPD4380 Phase 2
0.8024 Intermediate Similarity NPD6599 Discontinued
0.8023 Intermediate Similarity NPD7251 Discontinued
0.8012 Intermediate Similarity NPD1653 Approved
0.8012 Intermediate Similarity NPD6234 Discontinued
0.8 Intermediate Similarity NPD1512 Approved
0.7988 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7988 Intermediate Similarity NPD7819 Suspended
0.7978 Intermediate Similarity NPD7808 Phase 3
0.7953 Intermediate Similarity NPD3749 Approved
0.7952 Intermediate Similarity NPD5403 Approved
0.7941 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7933 Intermediate Similarity NPD8313 Approved
0.7933 Intermediate Similarity NPD8312 Approved
0.7929 Intermediate Similarity NPD6801 Discontinued
0.7914 Intermediate Similarity NPD4628 Phase 3
0.7914 Intermediate Similarity NPD3750 Approved
0.7888 Intermediate Similarity NPD1551 Phase 2
0.7888 Intermediate Similarity NPD2935 Discontinued
0.7879 Intermediate Similarity NPD6799 Approved
0.7844 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7831 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7831 Intermediate Similarity NPD5401 Approved
0.7826 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7824 Intermediate Similarity NPD37 Approved
0.7816 Intermediate Similarity NPD7199 Phase 2
0.7797 Intermediate Similarity NPD7228 Approved
0.7791 Intermediate Similarity NPD4966 Approved
0.7791 Intermediate Similarity NPD1549 Phase 2
0.7791 Intermediate Similarity NPD4967 Phase 2
0.7791 Intermediate Similarity NPD4965 Approved
0.7751 Intermediate Similarity NPD3226 Approved
0.7751 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.775 Intermediate Similarity NPD447 Suspended
0.7747 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.773 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.773 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7727 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7725 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7725 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7725 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7714 Intermediate Similarity NPD8127 Discontinued
0.7701 Intermediate Similarity NPD919 Approved
0.7688 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7688 Intermediate Similarity NPD1613 Approved
0.7674 Intermediate Similarity NPD8455 Phase 2
0.7669 Intermediate Similarity NPD5406 Approved
0.7669 Intermediate Similarity NPD2796 Approved
0.7669 Intermediate Similarity NPD5404 Approved
0.7669 Intermediate Similarity NPD5408 Approved
0.7669 Intermediate Similarity NPD5405 Approved
0.7654 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7651 Intermediate Similarity NPD6190 Approved
0.764 Intermediate Similarity NPD230 Phase 1
0.7636 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7627 Intermediate Similarity NPD3926 Phase 2
0.7619 Intermediate Similarity NPD2534 Approved
0.7619 Intermediate Similarity NPD2532 Approved
0.7619 Intermediate Similarity NPD2533 Approved
0.761 Intermediate Similarity NPD3027 Phase 3
0.7607 Intermediate Similarity NPD3748 Approved
0.7607 Intermediate Similarity NPD1510 Phase 2
0.7593 Intermediate Similarity NPD1607 Approved
0.759 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7582 Intermediate Similarity NPD7549 Discontinued
0.7576 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.756 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.756 Intermediate Similarity NPD7390 Discontinued
0.7547 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7527 Intermediate Similarity NPD7038 Approved
0.7527 Intermediate Similarity NPD7039 Approved
0.7516 Intermediate Similarity NPD6233 Phase 2
0.7514 Intermediate Similarity NPD1247 Approved
0.7513 Intermediate Similarity NPD7783 Phase 2
0.7513 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD8151 Discontinued
0.75 Intermediate Similarity NPD3751 Discontinued
0.7485 Intermediate Similarity NPD7003 Approved
0.7484 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7472 Intermediate Similarity NPD3787 Discontinued
0.7471 Intermediate Similarity NPD6273 Approved
0.7469 Intermediate Similarity NPD1240 Approved
0.7453 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7453 Intermediate Similarity NPD6798 Discontinued
0.7438 Intermediate Similarity NPD6832 Phase 2
0.7438 Intermediate Similarity NPD4908 Phase 1
0.7432 Intermediate Similarity NPD7685 Pre-registration
0.7423 Intermediate Similarity NPD1933 Approved
0.7423 Intermediate Similarity NPD7435 Discontinued
0.741 Intermediate Similarity NPD2346 Discontinued
0.7403 Intermediate Similarity NPD7177 Discontinued
0.7394 Intermediate Similarity NPD4308 Phase 3
0.7362 Intermediate Similarity NPD943 Approved
0.7358 Intermediate Similarity NPD6781 Approved
0.7358 Intermediate Similarity NPD6776 Approved
0.7358 Intermediate Similarity NPD1203 Approved
0.7358 Intermediate Similarity NPD6777 Approved
0.7358 Intermediate Similarity NPD6778 Approved
0.7358 Intermediate Similarity NPD6779 Approved
0.7358 Intermediate Similarity NPD6782 Approved
0.7358 Intermediate Similarity NPD6780 Approved
0.7346 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7341 Intermediate Similarity NPD7458 Discontinued
0.7337 Intermediate Similarity NPD7240 Approved
0.7326 Intermediate Similarity NPD8150 Discontinued
0.7326 Intermediate Similarity NPD8434 Phase 2
0.7326 Intermediate Similarity NPD920 Approved
0.7317 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7305 Intermediate Similarity NPD7266 Discontinued
0.7292 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7289 Intermediate Similarity NPD2799 Discontinued
0.7282 Intermediate Similarity NPD6823 Phase 2
0.7278 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7278 Intermediate Similarity NPD8166 Discontinued
0.725 Intermediate Similarity NPD2797 Approved
0.7239 Intermediate Similarity NPD411 Approved
0.7238 Intermediate Similarity NPD5242 Approved
0.7219 Intermediate Similarity NPD1243 Approved
0.7212 Intermediate Similarity NPD6355 Discontinued
0.7209 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7208 Intermediate Similarity NPD7870 Phase 2
0.7208 Intermediate Similarity NPD7871 Phase 2
0.72 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD7874 Approved
0.7193 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7189 Intermediate Similarity NPD5953 Discontinued
0.7182 Intermediate Similarity NPD7229 Phase 3
0.7176 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7176 Intermediate Similarity NPD4110 Phase 3
0.717 Intermediate Similarity NPD9717 Approved
0.7168 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.7167 Intermediate Similarity NPD6746 Phase 2
0.7157 Intermediate Similarity NPD7698 Approved
0.7157 Intermediate Similarity NPD7697 Approved
0.7157 Intermediate Similarity NPD7696 Phase 3
0.7152 Intermediate Similarity NPD4307 Phase 2
0.7143 Intermediate Similarity NPD6099 Approved
0.7143 Intermediate Similarity NPD6100 Approved
0.7135 Intermediate Similarity NPD4288 Approved
0.7134 Intermediate Similarity NPD2313 Discontinued
0.7134 Intermediate Similarity NPD3268 Approved
0.7134 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD3764 Approved
0.7125 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7118 Intermediate Similarity NPD1652 Phase 2
0.7108 Intermediate Similarity NPD5124 Phase 1
0.7108 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7107 Intermediate Similarity NPD422 Phase 1
0.7101 Intermediate Similarity NPD2344 Approved
0.71 Intermediate Similarity NPD7701 Phase 2
0.7098 Intermediate Similarity NPD6534 Approved
0.7098 Intermediate Similarity NPD6535 Approved
0.7092 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7088 Intermediate Similarity NPD5710 Approved
0.7088 Intermediate Similarity NPD5711 Approved
0.7083 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD7033 Discontinued
0.7081 Intermediate Similarity NPD7286 Phase 2
0.7073 Intermediate Similarity NPD4625 Phase 3
0.7071 Intermediate Similarity NPD7680 Approved
0.7068 Intermediate Similarity NPD4287 Approved
0.7062 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7056 Intermediate Similarity NPD6971 Discontinued
0.7055 Intermediate Similarity NPD9494 Approved
0.7055 Intermediate Similarity NPD2861 Phase 2
0.7048 Intermediate Similarity NPD4060 Phase 1
0.7041 Intermediate Similarity NPD2438 Suspended
0.7041 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7039 Intermediate Similarity NPD5353 Approved

Structure

External Identifiers

PubChem CID   45267464
ChEMBL   CHEMBL561264
ZINC  

Physicochemical Properties

Molecular Weight:  558.15
ALogP:  -2.0689
MLogP:  3.77
XLogP:  5.493
# Rotatable Bonds:  17
Polar Surface Area:  159.82
# H-Bond Aceptor:  4
# H-Bond Donor:  4
# Rings:  4
# Heavy Atoms:  41

Download Data

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