Natural Product: NPC471534

Natural Product ID:  NPC471534
Common Name:   Rac-Cordiaquinol J
IUPAC Name:   5,8a-dimethyl-6,7,8,9,10,10a-hexahydroanthracene-1,4,5-triol
Synonyms:   Rac-Cordiaquinol J
Molecular Formula:   C16H22O3
Standard InCHIKey:  SIHKZQDGUPOURP-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C16H22O3/c1-15-6-3-7-16(2,19)14(15)8-10-11(9-15)13(18)5-4-12(10)17/h4-5,14,17-19H,3,6-9H2,1-2H3
Canonical SMILES:  Oc1ccc(c2c1CC1(C)CCCC(C1C2)(C)O)O
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
NPO6865 Cordia fragrantissima Species Cordiaceae Eukaryota Myanmar PMID[18088097]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT3631 Organism Leishmania guyanensis Leishmania guyanensis IC50 = 3 ug/ml 7673933
NPT3632 Organism Leishmania panamensis Leishmania panamensis IC50 = 1.8 ug/ml 25585006
NPT1229 Cell Line Huh-7 Homo sapiens IC50 = 41.7 ug/ml 24140949
NPT841 Organism Leishmania major Leishmania major IC50 = 2.7 ug/ml 9249977

  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 NPC471534 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
0.9633 High Similarity NPC141001
0.9533 High Similarity NPC77772
0.9352 High Similarity NPC266937
0.9352 High Similarity NPC470770
0.9266 High Similarity NPC177962
0.9266 High Similarity NPC62867
0.9159 High Similarity NPC320439
0.9115 High Similarity NPC469609
0.9083 High Similarity NPC141782
0.9 High Similarity NPC469912
0.8938 High Similarity NPC308828
0.8929 High Similarity NPC268160
0.8889 High Similarity NPC53740
0.887 High Similarity NPC469644
0.886 High Similarity NPC304510
0.886 High Similarity NPC172219
0.885 High Similarity NPC147179
0.885 High Similarity NPC469719
0.8829 High Similarity NPC176279
0.8829 High Similarity NPC54373
0.8829 High Similarity NPC260323
0.8796 High Similarity NPC47284
0.8783 High Similarity NPC471671
0.8783 High Similarity NPC206
0.8772 High Similarity NPC92
0.8772 High Similarity NPC469663
0.8772 High Similarity NPC219112
0.8772 High Similarity NPC471668
0.8761 High Similarity NPC195922
0.875 High Similarity NPC250323
0.8739 High Similarity NPC13482
0.8727 High Similarity NPC11554
0.8716 High Similarity NPC155072
0.8716 High Similarity NPC469913
0.8707 High Similarity NPC323074
0.8696 High Similarity NPC16030
0.8684 High Similarity NPC192948
0.8684 High Similarity NPC84999
0.8684 High Similarity NPC246760
0.8684 High Similarity NPC35797
0.8661 High Similarity NPC322753
0.8661 High Similarity NPC95716
0.8632 High Similarity NPC477037
0.8632 High Similarity NPC318581
0.8632 High Similarity NPC325544
0.8632 High Similarity NPC135467
0.8632 High Similarity NPC260832
0.8624 High Similarity NPC117115
0.8611 High Similarity NPC269212
0.8611 High Similarity NPC108497
0.8609 High Similarity NPC477137
0.8609 High Similarity NPC308311
0.8609 High Similarity NPC38893
0.8584 High Similarity NPC46940
0.8583 High Similarity NPC248557
0.8571 High Similarity NPC471794
0.8571 High Similarity NPC132720
0.8559 High Similarity NPC328504
0.8547 High Similarity NPC93071
0.8547 High Similarity NPC126002
0.8534 High Similarity NPC477136
0.8532 High Similarity NPC475580
0.8532 High Similarity NPC272029
0.8519 High Similarity NPC12221
0.8509 High Similarity NPC715
0.8496 Intermediate Similarity NPC151537
0.8468 Intermediate Similarity NPC472793
0.8468 Intermediate Similarity NPC151477
0.8462 Intermediate Similarity NPC154030
0.844 Intermediate Similarity NPC233827
0.8435 Intermediate Similarity NPC249270
0.8426 Intermediate Similarity NPC72729
0.8426 Intermediate Similarity NPC248396
0.8426 Intermediate Similarity NPC48730
0.8426 Intermediate Similarity NPC129373
0.8421 Intermediate Similarity NPC302371
0.8411 Intermediate Similarity NPC475078
0.8411 Intermediate Similarity NPC152097
0.84 Intermediate Similarity NPC473047
0.8393 Intermediate Similarity NPC306295
0.8393 Intermediate Similarity NPC95344
0.8376 Intermediate Similarity NPC320864
0.8361 Intermediate Similarity NPC87985
0.8349 Intermediate Similarity NPC252105
0.8349 Intermediate Similarity NPC477685
0.8349 Intermediate Similarity NPC80800
0.8333 Intermediate Similarity NPC224527
0.8333 Intermediate Similarity NPC33675
0.8333 Intermediate Similarity NPC253627
0.8333 Intermediate Similarity NPC299762
0.8333 Intermediate Similarity NPC260775
0.8319 Intermediate Similarity NPC99734
0.8319 Intermediate Similarity NPC58865
0.8306 Intermediate Similarity NPC47288
0.8305 Intermediate Similarity NPC48342
0.8305 Intermediate Similarity NPC164649
0.8276 Intermediate Similarity NPC107240
0.8261 Intermediate Similarity NPC228425
0.8257 Intermediate Similarity NPC70677
0.8257 Intermediate Similarity NPC130756
0.8257 Intermediate Similarity NPC12931
0.825 Intermediate Similarity NPC259703
0.825 Intermediate Similarity NPC32322
0.8246 Intermediate Similarity NPC296683
0.8241 Intermediate Similarity NPC79241
0.8241 Intermediate Similarity NPC6597
0.8235 Intermediate Similarity NPC151197
0.8235 Intermediate Similarity NPC42657
0.8235 Intermediate Similarity NPC121866
0.822 Intermediate Similarity NPC299180
0.8214 Intermediate Similarity NPC21594
0.8214 Intermediate Similarity NPC54765
0.8214 Intermediate Similarity NPC271274
0.8214 Intermediate Similarity NPC67250
0.8214 Intermediate Similarity NPC310456
0.8211 Intermediate Similarity NPC124030
0.8198 Intermediate Similarity NPC238696
0.8198 Intermediate Similarity NPC475225
0.8197 Intermediate Similarity NPC471187
0.8197 Intermediate Similarity NPC198014
0.8182 Intermediate Similarity NPC51015
0.8182 Intermediate Similarity NPC77569
0.8182 Intermediate Similarity NPC162935
0.8182 Intermediate Similarity NPC475166
0.8182 Intermediate Similarity NPC249340
0.8182 Intermediate Similarity NPC142198
0.8167 Intermediate Similarity NPC318552
0.8167 Intermediate Similarity NPC190501
0.8167 Intermediate Similarity NPC68339
0.816 Intermediate Similarity NPC176590
0.8158 Intermediate Similarity NPC473524
0.8158 Intermediate Similarity NPC33728
0.8158 Intermediate Similarity NPC314187
0.8158 Intermediate Similarity NPC19808
0.8158 Intermediate Similarity NPC186385
0.8158 Intermediate Similarity NPC299568
0.8148 Intermediate Similarity NPC312132
0.8148 Intermediate Similarity NPC259512
0.8145 Intermediate Similarity NPC321822
0.8145 Intermediate Similarity NPC43000
0.8145 Intermediate Similarity NPC100414
0.8145 Intermediate Similarity NPC325294
0.8142 Intermediate Similarity NPC66834
0.814 Intermediate Similarity NPC279463
0.8136 Intermediate Similarity NPC474358
0.8136 Intermediate Similarity NPC257540
0.8136 Intermediate Similarity NPC137496
0.8136 Intermediate Similarity NPC474387
0.8136 Intermediate Similarity NPC154511
0.8136 Intermediate Similarity NPC247858
0.8131 Intermediate Similarity NPC245187
0.8131 Intermediate Similarity NPC152415
0.813 Intermediate Similarity NPC61685
0.8125 Intermediate Similarity NPC219286
0.8125 Intermediate Similarity NPC211352
0.8125 Intermediate Similarity NPC138942
0.8125 Intermediate Similarity NPC99557
0.8115 Intermediate Similarity NPC11250
0.8115 Intermediate Similarity NPC478058
0.8115 Intermediate Similarity NPC176208
0.8115 Intermediate Similarity NPC71094
0.811 Intermediate Similarity NPC153019
0.8108 Intermediate Similarity NPC235762
0.8108 Intermediate Similarity NPC471228
0.8099 Intermediate Similarity NPC241001
0.8099 Intermediate Similarity NPC129176
0.8095 Intermediate Similarity NPC206028
0.8091 Intermediate Similarity NPC130103
0.8091 Intermediate Similarity NPC211885
0.8091 Intermediate Similarity NPC225506
0.8083 Intermediate Similarity NPC176893
0.8083 Intermediate Similarity NPC51341
0.8083 Intermediate Similarity NPC471449
0.808 Intermediate Similarity NPC476536
0.808 Intermediate Similarity NPC471077
0.808 Intermediate Similarity NPC108164
0.808 Intermediate Similarity NPC471530
0.8073 Intermediate Similarity NPC156313
0.807 Intermediate Similarity NPC64642
0.807 Intermediate Similarity NPC64586
0.807 Intermediate Similarity NPC149455
0.807 Intermediate Similarity NPC174981
0.807 Intermediate Similarity NPC472982
0.8067 Intermediate Similarity NPC470760
0.8056 Intermediate Similarity NPC222146
0.8051 Intermediate Similarity NPC232165
0.8037 Intermediate Similarity NPC55903
0.8037 Intermediate Similarity NPC29373
0.8036 Intermediate Similarity NPC323810
0.8036 Intermediate Similarity NPC288411
0.8034 Intermediate Similarity NPC317869
0.8034 Intermediate Similarity NPC117846
0.8034 Intermediate Similarity NPC322239
0.8034 Intermediate Similarity NPC263753
0.8034 Intermediate Similarity NPC23804
0.8033 Intermediate Similarity NPC168707
0.8033 Intermediate Similarity NPC475839
0.8033 Intermediate Similarity NPC48623
0.8033 Intermediate Similarity NPC154696
0.8017 Intermediate Similarity NPC225679

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC471534 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
0.875 High Similarity NPD7635 Approved
0.8598 High Similarity NPD289 Clinical (unspecified phase)
0.8319 Intermediate Similarity NPD4059 Approved
0.8305 Intermediate Similarity NPD3091 Approved
0.8304 Intermediate Similarity NPD2342 Discontinued
0.8182 Intermediate Similarity NPD3092 Approved
0.8167 Intermediate Similarity NPD3019 Approved
0.8158 Intermediate Similarity NPD4750 Phase 3
0.8148 Intermediate Similarity NPD288 Approved
0.813 Intermediate Similarity NPD6696 Suspended
0.8065 Intermediate Similarity NPD3094 Phase 2
0.8056 Intermediate Similarity NPD844 Approved
0.8017 Intermediate Similarity NPD2932 Approved
0.8 Intermediate Similarity NPD3020 Approved
0.787 Intermediate Similarity NPD845 Approved
0.7869 Intermediate Similarity NPD3095 Discontinued
0.7798 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.775 Intermediate Similarity NPD6671 Approved
0.7742 Intermediate Similarity NPD1201 Approved
0.7727 Intermediate Similarity NPD2859 Approved
0.7727 Intermediate Similarity NPD2860 Approved
0.7727 Intermediate Similarity NPD1809 Phase 2
0.7692 Intermediate Similarity NPD3022 Approved
0.7692 Intermediate Similarity NPD3021 Approved
0.7686 Intermediate Similarity NPD7340 Approved
0.7674 Intermediate Similarity NPD4625 Phase 3
0.7667 Intermediate Similarity NPD497 Approved
0.7656 Intermediate Similarity NPD5736 Approved
0.7642 Intermediate Similarity NPD4093 Discontinued
0.7636 Intermediate Similarity NPD2934 Approved
0.7636 Intermediate Similarity NPD2933 Approved
0.7583 Intermediate Similarity NPD496 Approved
0.7583 Intermediate Similarity NPD495 Approved
0.7583 Intermediate Similarity NPD1398 Phase 1
0.7583 Intermediate Similarity NPD498 Approved
0.7581 Intermediate Similarity NPD1751 Approved
0.7578 Intermediate Similarity NPD4624 Approved
0.7544 Intermediate Similarity NPD846 Approved
0.7544 Intermediate Similarity NPD940 Approved
0.7542 Intermediate Similarity NPD1792 Phase 2
0.752 Intermediate Similarity NPD3023 Approved
0.752 Intermediate Similarity NPD3026 Approved
0.7519 Intermediate Similarity NPD2861 Phase 2
0.75 Intermediate Similarity NPD1470 Approved
0.75 Intermediate Similarity NPD3025 Approved
0.75 Intermediate Similarity NPD4339 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD3024 Approved
0.7481 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.748 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.748 Intermediate Similarity NPD4749 Approved
0.7462 Intermediate Similarity NPD2605 Approved
0.7462 Intermediate Similarity NPD2606 Approved
0.7442 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.744 Intermediate Similarity NPD2286 Discontinued
0.7426 Intermediate Similarity NPD4725 Approved
0.7426 Intermediate Similarity NPD4721 Approved
0.7426 Intermediate Similarity NPD4726 Approved
0.7424 Intermediate Similarity NPD6663 Approved
0.7405 Intermediate Similarity NPD5156 Approved
0.7405 Intermediate Similarity NPD5155 Approved
0.7398 Intermediate Similarity NPD7325 Clinical (unspecified phase)
0.7388 Intermediate Similarity NPD4097 Suspended
0.7385 Intermediate Similarity NPD3637 Approved
0.7385 Intermediate Similarity NPD3636 Approved
0.7385 Intermediate Similarity NPD3635 Approved
0.7328 Intermediate Similarity NPD3595 Approved
0.7328 Intermediate Similarity NPD3594 Approved
0.7323 Intermediate Similarity NPD5351 Clinical (unspecified phase)
0.7323 Intermediate Similarity NPD5350 Clinical (unspecified phase)
0.7308 Intermediate Similarity NPD2195 Approved
0.7308 Intermediate Similarity NPD2194 Approved
0.7304 Intermediate Similarity NPD1242 Phase 1
0.7295 Intermediate Similarity NPD2228 Approved
0.7295 Intermediate Similarity NPD2234 Approved
0.7295 Intermediate Similarity NPD2229 Approved
0.7288 Intermediate Similarity NPD1444 Approved
0.7288 Intermediate Similarity NPD1445 Approved
0.728 Intermediate Similarity NPD2226 Clinical (unspecified phase)
0.7266 Intermediate Similarity NPD2233 Approved
0.7266 Intermediate Similarity NPD2232 Approved
0.7266 Intermediate Similarity NPD2230 Approved
0.7239 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7239 Intermediate Similarity NPD3620 Phase 2
0.7226 Intermediate Similarity NPD6100 Approved
0.7226 Intermediate Similarity NPD6099 Approved
0.7209 Intermediate Similarity NPD5327 Phase 3
0.7185 Intermediate Similarity NPD5735 Approved
0.7165 Intermediate Similarity NPD4626 Approved
0.7165 Intermediate Similarity NPD4589 Approved
0.7153 Intermediate Similarity NPD3299 Clinical (unspecified phase)
0.7153 Intermediate Similarity NPD7742 Approved
0.7153 Intermediate Similarity NPD7743 Approved
0.7132 Intermediate Similarity NPD6353 Approved
0.7131 Intermediate Similarity NPD6124 Clinical (unspecified phase)
0.7111 Intermediate Similarity NPD4140 Approved
0.7097 Intermediate Similarity NPD1476 Clinical (unspecified phase)
0.709 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7068 Intermediate Similarity NPD4908 Phase 1
0.7063 Intermediate Similarity NPD4160 Clinical (unspecified phase)
0.7054 Intermediate Similarity NPD1611 Approved
0.7042 Intermediate Similarity NPD3300 Phase 2
0.7034 Intermediate Similarity NPD5700 Clinical (unspecified phase)
0.7016 Intermediate Similarity NPD7159 Clinical (unspecified phase)
0.7008 Intermediate Similarity NPD5303 Approved
0.7008 Intermediate Similarity NPD7741 Discontinued
0.7008 Intermediate Similarity NPD7330 Discontinued
0.7008 Intermediate Similarity NPD5304 Approved
0.6985 Remote Similarity NPD4060 Phase 1
0.6985 Remote Similarity NPD2238 Phase 2
0.6978 Remote Similarity NPD5406 Approved
0.6978 Remote Similarity NPD5404 Approved
0.6978 Remote Similarity NPD5408 Approved
0.6978 Remote Similarity NPD5405 Approved
0.6972 Remote Similarity NPD111 Approved
0.696 Remote Similarity NPD1791 Approved
0.696 Remote Similarity NPD1793 Approved
0.695 Remote Similarity NPD3638 Discontinued
0.6929 Remote Similarity NPD7644 Approved
0.6923 Remote Similarity NPD1610 Phase 2
0.6906 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6905 Remote Similarity NPD709 Approved
0.6901 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6899 Remote Similarity NPD5238 Clinical (unspecified phase)
0.688 Remote Similarity NPD4869 Clinical (unspecified phase)
0.6879 Remote Similarity NPD4257 Approved
0.6879 Remote Similarity NPD4256 Phase 2
0.6875 Remote Similarity NPD7390 Discontinued
0.686 Remote Similarity NPD968 Approved
0.6853 Remote Similarity NPD7910 Clinical (unspecified phase)
0.685 Remote Similarity NPD405 Clinical (unspecified phase)
0.6846 Remote Similarity NPD3496 Discontinued
0.6835 Remote Similarity NPD7718 Clinical (unspecified phase)
0.6831 Remote Similarity NPD5698 Clinical (unspecified phase)
0.6828 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6825 Remote Similarity NPD5951 Approved
0.6822 Remote Similarity NPD5691 Approved
0.6809 Remote Similarity NPD5763 Approved
0.6809 Remote Similarity NPD2029 Clinical (unspecified phase)
0.6809 Remote Similarity NPD5762 Approved
0.6788 Remote Similarity NPD8032 Phase 2
0.6783 Remote Similarity NPD8166 Discontinued
0.6783 Remote Similarity NPD7003 Approved
0.6767 Remote Similarity NPD1283 Approved
0.6765 Remote Similarity NPD7095 Approved
0.675 Remote Similarity NPD9500 Approved
0.6746 Remote Similarity NPD5283 Phase 1
0.6739 Remote Similarity NPD6346 Approved
0.6723 Remote Similarity NPD3028 Approved
0.6719 Remote Similarity NPD7636 Approved
0.6716 Remote Similarity NPD4103 Phase 2
0.6716 Remote Similarity NPD4104 Clinical (unspecified phase)
0.6715 Remote Similarity NPD3764 Approved
0.6692 Remote Similarity NPD1755 Approved
0.6692 Remote Similarity NPD1651 Approved
0.6692 Remote Similarity NPD4196 Clinical (unspecified phase)
0.6692 Remote Similarity NPD4659 Approved
0.6692 Remote Similarity NPD4235 Clinical (unspecified phase)
0.6691 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6584 Phase 3
0.6667 Remote Similarity NPD6090 Discontinued
0.6644 Remote Similarity NPD2420 Approved
0.6644 Remote Similarity NPD2421 Approved
0.6644 Remote Similarity NPD7041 Phase 2
0.6644 Remote Similarity NPD7040 Clinical (unspecified phase)
0.6643 Remote Similarity NPD7037 Approved
0.6643 Remote Similarity NPD4579 Clinical (unspecified phase)
0.6642 Remote Similarity NPD3027 Phase 3
0.6642 Remote Similarity NPD8651 Approved
0.6641 Remote Similarity NPD1778 Approved
0.6641 Remote Similarity NPD2668 Approved
0.6641 Remote Similarity NPD2667 Approved
0.6636 Remote Similarity NPD9088 Approved
0.662 Remote Similarity NPD2935 Discontinued
0.6619 Remote Similarity NPD3110 Approved
0.6619 Remote Similarity NPD3109 Approved
0.6618 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6617 Remote Similarity NPD1608 Approved
0.6615 Remote Similarity NPD1548 Phase 1
0.6599 Remote Similarity NPD3645 Discontinued
0.6599 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6594 Remote Similarity NPD2028 Clinical (unspecified phase)
0.6593 Remote Similarity NPD2797 Approved
0.6591 Remote Similarity NPD1983 Approved
0.6591 Remote Similarity NPD1980 Approved
0.6591 Remote Similarity NPD3143 Discontinued
0.6591 Remote Similarity NPD1981 Approved
0.6587 Remote Similarity NPD228 Approved
0.6579 Remote Similarity NPD5929 Approved
0.6571 Remote Similarity NPD3657 Discovery
0.6567 Remote Similarity NPD1669 Approved
0.6565 Remote Similarity NPD5585 Approved
0.6562 Remote Similarity NPD9614 Approved
0.6562 Remote Similarity NPD9618 Approved
0.656 Remote Similarity NPD5451 Approved
0.6555 Remote Similarity NPD9273 Approved
0.6541 Remote Similarity NPD1281 Approved
0.6533 Remote Similarity NPD3226 Approved
0.6529 Remote Similarity NPD4817 Approved
0.6529 Remote Similarity NPD4818 Approved
0.6515 Remote Similarity NPD5125 Phase 3

Structure

External Identifiers

PubChem CID   44448149
ChEMBL   CHEMBL255315
ZINC  

Physicochemical Properties

Molecular Weight:  262.16
ALogP:  -0.181
MLogP:  2.89
XLogP:  2.644
# Rotatable Bonds:  5
Polar Surface Area:  60.69
# H-Bond Aceptor:  1
# H-Bond Donor:  3
# Rings:  3
# Heavy Atoms:  19

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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