Natural Product: NPC46978

Natural Product ID:  NPC46978
Common Name:   Clusiparalicoline C
IUPAC Name:   7-(4-hydroxyphenyl)-2,2-dimethylchromen-5-ol
Synonyms:   Clusiparalicoline C
Molecular Formula:   C17H16O3
Standard InCHIKey:  KZMOGQPNVGDXEU-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C17H16O3/c1-17(2)8-7-14-15(19)9-12(10-16(14)20-17)11-3-5-13(18)6-4-11/h3-10,18-19H,1-2H3
Canonical SMILES:  Oc1ccc(cc1)c1cc(O)c2c(c1)OC(C=C2)(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
NPO17121 Clusia paralicola Species Clusiaceae Eukaryota PMID[10579857]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT91 Cell Line KB Homo sapiens EC50 = 5.3 ug/ml 10.1007/s00044-012-0142-7

  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 NPC46978 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
0.9587 High Similarity NPC270030
0.9417 High Similarity NPC218753
0.9365 High Similarity NPC160623
0.936 High Similarity NPC16577
0.9291 High Similarity NPC469611
0.9262 High Similarity NPC74137
0.925 High Similarity NPC137294
0.925 High Similarity NPC85895
0.9231 High Similarity NPC35550
0.9219 High Similarity NPC469610
0.9213 High Similarity NPC8899
0.9206 High Similarity NPC96719
0.9206 High Similarity NPC222108
0.9187 High Similarity NPC96940
0.9134 High Similarity NPC474481
0.912 High Similarity NPC170485
0.9091 High Similarity NPC184302
0.9062 High Similarity NPC472590
0.9048 High Similarity NPC473221
0.904 High Similarity NPC476254
0.904 High Similarity NPC105031
0.904 High Similarity NPC131397
0.9024 High Similarity NPC212965
0.9008 High Similarity NPC190514
0.8976 High Similarity NPC215300
0.8968 High Similarity NPC283049
0.8968 High Similarity NPC230479
0.8968 High Similarity NPC50315
0.8968 High Similarity NPC26879
0.8968 High Similarity NPC82299
0.896 High Similarity NPC138248
0.896 High Similarity NPC159132
0.896 High Similarity NPC228503
0.8952 High Similarity NPC100099
0.8952 High Similarity NPC36016
0.8952 High Similarity NPC120638
0.8943 High Similarity NPC102639
0.8934 High Similarity NPC295259
0.8926 High Similarity NPC33270
0.8926 High Similarity NPC474933
0.8926 High Similarity NPC244816
0.8926 High Similarity NPC50521
0.8926 High Similarity NPC221549
0.8926 High Similarity NPC195466
0.8926 High Similarity NPC69261
0.8923 High Similarity NPC36661
0.8915 High Similarity NPC244888
0.8915 High Similarity NPC164804
0.8915 High Similarity NPC211413
0.8915 High Similarity NPC68205
0.8915 High Similarity NPC293203
0.8915 High Similarity NPC118683
0.8906 High Similarity NPC134360
0.8906 High Similarity NPC472797
0.8898 High Similarity NPC53781
0.8898 High Similarity NPC149796
0.8898 High Similarity NPC473134
0.8889 High Similarity NPC113495
0.8889 High Similarity NPC278955
0.8889 High Similarity NPC105718
0.888 High Similarity NPC38761
0.888 High Similarity NPC76465
0.8871 High Similarity NPC476633
0.8871 High Similarity NPC54972
0.8871 High Similarity NPC193364
0.8852 High Similarity NPC74821
0.8846 High Similarity NPC472798
0.8843 High Similarity NPC150624
0.8843 High Similarity NPC141090
0.8843 High Similarity NPC54507
0.8843 High Similarity NPC85292
0.8843 High Similarity NPC229147
0.8828 High Similarity NPC38017
0.8828 High Similarity NPC53986
0.8828 High Similarity NPC211179
0.8828 High Similarity NPC38604
0.8828 High Similarity NPC38664
0.881 High Similarity NPC106914
0.881 High Similarity NPC246648
0.881 High Similarity NPC134195
0.881 High Similarity NPC197351
0.881 High Similarity NPC86502
0.88 High Similarity NPC18128
0.88 High Similarity NPC77789
0.8779 High Similarity NPC77196
0.8779 High Similarity NPC92805
0.8769 High Similarity NPC162801
0.8769 High Similarity NPC471517
0.8769 High Similarity NPC282508
0.876 High Similarity NPC472795
0.876 High Similarity NPC167934
0.876 High Similarity NPC93962
0.876 High Similarity NPC464
0.876 High Similarity NPC53906
0.876 High Similarity NPC472796
0.876 High Similarity NPC185541
0.876 High Similarity NPC808
0.8741 High Similarity NPC71046
0.874 High Similarity NPC188022
0.874 High Similarity NPC102540
0.874 High Similarity NPC17809
0.874 High Similarity NPC285040
0.874 High Similarity NPC103420
0.8722 High Similarity NPC141717
0.8712 High Similarity NPC296915
0.8712 High Similarity NPC97834
0.8712 High Similarity NPC223008
0.8712 High Similarity NPC115335
0.8712 High Similarity NPC225696
0.8712 High Similarity NPC473107
0.8712 High Similarity NPC198154
0.871 High Similarity NPC93398
0.871 High Similarity NPC8283
0.871 High Similarity NPC258979
0.8702 High Similarity NPC13005
0.8699 High Similarity NPC131118
0.8689 High Similarity NPC203113
0.8682 High Similarity NPC47283
0.8682 High Similarity NPC222572
0.8682 High Similarity NPC39064
0.8682 High Similarity NPC274717
0.8682 High Similarity NPC87224
0.8678 High Similarity NPC22610
0.8678 High Similarity NPC228287
0.8678 High Similarity NPC180508
0.8678 High Similarity NPC276737
0.8672 High Similarity NPC223953
0.8672 High Similarity NPC244364
0.8672 High Similarity NPC276212
0.8647 High Similarity NPC111655
0.8647 High Similarity NPC151224
0.8647 High Similarity NPC37410
0.8636 High Similarity NPC85435
0.8636 High Similarity NPC229442
0.8636 High Similarity NPC168059
0.8636 High Similarity NPC11060
0.8626 High Similarity NPC228369
0.8626 High Similarity NPC206224
0.8626 High Similarity NPC164574
0.8626 High Similarity NPC476166
0.8626 High Similarity NPC268917
0.8626 High Similarity NPC12875
0.8626 High Similarity NPC118114
0.8626 High Similarity NPC17343
0.8626 High Similarity NPC280653
0.8626 High Similarity NPC196765
0.8626 High Similarity NPC129784
0.8626 High Similarity NPC150011
0.8626 High Similarity NPC300875
0.8626 High Similarity NPC236014
0.8626 High Similarity NPC129106
0.8626 High Similarity NPC207892
0.8623 High Similarity NPC469557
0.8618 High Similarity NPC470759
0.8618 High Similarity NPC15860
0.8618 High Similarity NPC127894
0.8618 High Similarity NPC219070
0.8615 High Similarity NPC471518
0.8615 High Similarity NPC471519
0.8603 High Similarity NPC265075
0.8594 High Similarity NPC105925
0.8594 High Similarity NPC293801
0.8583 High Similarity NPC261992
0.8583 High Similarity NPC474160
0.8583 High Similarity NPC255068
0.8582 High Similarity NPC227503
0.8582 High Similarity NPC265433
0.8582 High Similarity NPC472648
0.8582 High Similarity NPC472649
0.8582 High Similarity NPC191462
0.8582 High Similarity NPC126101
0.8582 High Similarity NPC472647
0.8582 High Similarity NPC262585
0.8582 High Similarity NPC234952
0.8582 High Similarity NPC20829
0.8582 High Similarity NPC133463
0.8582 High Similarity NPC162659
0.8582 High Similarity NPC170328
0.8582 High Similarity NPC230734
0.8582 High Similarity NPC206525
0.8582 High Similarity NPC474639
0.8582 High Similarity NPC472800
0.8582 High Similarity NPC173660
0.8582 High Similarity NPC270456
0.8582 High Similarity NPC248727
0.8582 High Similarity NPC18189
0.8571 High Similarity NPC190454
0.8571 High Similarity NPC97432
0.8571 High Similarity NPC106215
0.8571 High Similarity NPC317380
0.8571 High Similarity NPC124085
0.8571 High Similarity NPC131950
0.8571 High Similarity NPC117048
0.8561 High Similarity NPC202762
0.8561 High Similarity NPC218884
0.8561 High Similarity NPC86655
0.8561 High Similarity NPC233980
0.8561 High Similarity NPC127624
0.8551 High Similarity NPC36732
0.8551 High Similarity NPC469795

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC46978 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
0.936 High Similarity NPD4625 Phase 3
0.9187 High Similarity NPD4749 Approved
0.8871 High Similarity NPD1610 Phase 2
0.8852 High Similarity NPD1548 Phase 1
0.8828 High Similarity NPD4908 Phase 1
0.8692 High Similarity NPD4907 Clinical (unspecified phase)
0.8692 High Similarity NPD6410 Clinical (unspecified phase)
0.8538 High Similarity NPD1529 Clinical (unspecified phase)
0.8462 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.8382 Intermediate Similarity NPD6100 Approved
0.8382 Intermediate Similarity NPD6099 Approved
0.8321 Intermediate Similarity NPD2861 Phase 2
0.8284 Intermediate Similarity NPD1613 Approved
0.8284 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.8281 Intermediate Similarity NPD422 Phase 1
0.816 Intermediate Similarity NPD6671 Approved
0.8115 Intermediate Similarity NPD4750 Phase 3
0.8106 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.806 Intermediate Similarity NPD3027 Phase 3
0.8014 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7955 Intermediate Similarity NPD6696 Suspended
0.7887 Intermediate Similarity NPD3750 Approved
0.7868 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7833 Intermediate Similarity NPD940 Approved
0.7833 Intermediate Similarity NPD846 Approved
0.7817 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7793 Intermediate Similarity NPD7447 Phase 1
0.7793 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7761 Intermediate Similarity NPD2797 Approved
0.775 Intermediate Similarity NPD1242 Phase 1
0.7744 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7724 Intermediate Similarity NPD7212 Phase 2
0.7724 Intermediate Similarity NPD7213 Phase 3
0.7704 Intermediate Similarity NPD6584 Phase 3
0.7698 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7698 Intermediate Similarity NPD5124 Phase 1
0.7671 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7647 Intermediate Similarity NPD3018 Phase 2
0.7643 Intermediate Similarity NPD1607 Approved
0.7626 Intermediate Similarity NPD4060 Phase 1
0.7606 Intermediate Similarity NPD2796 Approved
0.7603 Intermediate Similarity NPD1511 Approved
0.7578 Intermediate Similarity NPD1398 Phase 1
0.7576 Intermediate Similarity NPD4626 Approved
0.7552 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7552 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7551 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7538 Intermediate Similarity NPD7340 Approved
0.7537 Intermediate Similarity NPD1608 Approved
0.7536 Intermediate Similarity NPD7095 Approved
0.7535 Intermediate Similarity NPD1510 Phase 2
0.7535 Intermediate Similarity NPD3748 Approved
0.7521 Intermediate Similarity NPD3020 Approved
0.7518 Intermediate Similarity NPD4097 Suspended
0.7517 Intermediate Similarity NPD7466 Approved
0.7517 Intermediate Similarity NPD3892 Phase 2
0.75 Intermediate Similarity NPD1240 Approved
0.75 Intermediate Similarity NPD1512 Approved
0.75 Intermediate Similarity NPD1549 Phase 2
0.75 Intermediate Similarity NPD2801 Approved
0.75 Intermediate Similarity NPD5535 Approved
0.75 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7482 Intermediate Similarity NPD3268 Approved
0.7481 Intermediate Similarity NPD6583 Phase 3
0.7481 Intermediate Similarity NPD6582 Phase 2
0.7481 Intermediate Similarity NPD2982 Phase 2
0.7481 Intermediate Similarity NPD2983 Phase 2
0.7463 Intermediate Similarity NPD1611 Approved
0.746 Intermediate Similarity NPD2684 Approved
0.7444 Intermediate Similarity NPD1778 Approved
0.7442 Intermediate Similarity NPD5283 Phase 1
0.744 Intermediate Similarity NPD968 Approved
0.7436 Intermediate Similarity NPD6959 Discontinued
0.7434 Intermediate Similarity NPD1934 Approved
0.7426 Intermediate Similarity NPD8651 Approved
0.7426 Intermediate Similarity NPD3225 Approved
0.7417 Intermediate Similarity NPD2859 Approved
0.7417 Intermediate Similarity NPD844 Approved
0.7417 Intermediate Similarity NPD2860 Approved
0.7413 Intermediate Similarity NPD7033 Discontinued
0.7413 Intermediate Similarity NPD4308 Phase 3
0.7407 Intermediate Similarity NPD2981 Phase 2
0.7403 Intermediate Similarity NPD7768 Phase 2
0.7386 Intermediate Similarity NPD7819 Suspended
0.7381 Intermediate Similarity NPD2342 Discontinued
0.7379 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7376 Intermediate Similarity NPD2238 Phase 2
0.7368 Intermediate Similarity NPD1651 Approved
0.7368 Intermediate Similarity NPD5691 Approved
0.7365 Intermediate Similarity NPD7837 Clinical (unspecified phase)
0.7364 Intermediate Similarity NPD7635 Approved
0.7361 Intermediate Similarity NPD1551 Phase 2
0.7355 Intermediate Similarity NPD288 Approved
0.7353 Intermediate Similarity NPD5327 Phase 3
0.7338 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD2934 Approved
0.7333 Intermediate Similarity NPD2933 Approved
0.7328 Intermediate Similarity NPD7157 Approved
0.7328 Intermediate Similarity NPD709 Approved
0.7324 Intermediate Similarity NPD5735 Approved
0.7319 Intermediate Similarity NPD4624 Approved
0.7313 Intermediate Similarity NPD17 Approved
0.7299 Intermediate Similarity NPD1283 Approved
0.7297 Intermediate Similarity NPD6815 Approved
0.7287 Intermediate Similarity NPD228 Approved
0.7279 Intermediate Similarity NPD2232 Approved
0.7279 Intermediate Similarity NPD2233 Approved
0.7279 Intermediate Similarity NPD2230 Approved
0.7278 Intermediate Similarity NPD6232 Discontinued
0.7273 Intermediate Similarity NPD6353 Approved
0.7267 Intermediate Similarity NPD5844 Phase 1
0.7266 Intermediate Similarity NPD3022 Approved
0.7266 Intermediate Similarity NPD3021 Approved
0.7266 Intermediate Similarity NPD5451 Approved
0.7254 Intermediate Similarity NPD1558 Phase 1
0.7254 Intermediate Similarity NPD4140 Approved
0.7244 Intermediate Similarity NPD290 Approved
0.7244 Intermediate Similarity NPD3749 Approved
0.7234 Intermediate Similarity NPD6812 Clinical (unspecified phase)
0.7231 Intermediate Similarity NPD7843 Approved
0.7214 Intermediate Similarity NPD1008 Clinical (unspecified phase)
0.7211 Intermediate Similarity NPD1652 Phase 2
0.7206 Intermediate Similarity NPD1091 Approved
0.719 Intermediate Similarity NPD4380 Phase 2
0.719 Intermediate Similarity NPD6599 Discontinued
0.7185 Intermediate Similarity NPD2668 Approved
0.7185 Intermediate Similarity NPD6516 Phase 2
0.7185 Intermediate Similarity NPD2667 Approved
0.7185 Intermediate Similarity NPD5846 Approved
0.7179 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD3882 Suspended
0.7171 Intermediate Similarity NPD1653 Approved
0.717 Intermediate Similarity NPD7229 Phase 3
0.7162 Intermediate Similarity NPD4628 Phase 3
0.7152 Intermediate Similarity NPD6746 Phase 2
0.7143 Intermediate Similarity NPD7473 Discontinued
0.7143 Intermediate Similarity NPD7411 Suspended
0.7143 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD7037 Approved
0.7134 Intermediate Similarity NPD7075 Discontinued
0.7134 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD6559 Discontinued
0.7133 Intermediate Similarity NPD4307 Phase 2
0.7133 Intermediate Similarity NPD5837 Clinical (unspecified phase)
0.7132 Intermediate Similarity NPD3496 Discontinued
0.7123 Intermediate Similarity NPD2935 Discontinued
0.7122 Intermediate Similarity NPD3267 Approved
0.7122 Intermediate Similarity NPD3266 Approved
0.7115 Intermediate Similarity NPD3817 Phase 2
0.7113 Intermediate Similarity NPD1296 Phase 2
0.7113 Intermediate Similarity NPD6798 Discontinued
0.7111 Intermediate Similarity NPD3445 Approved
0.7111 Intermediate Similarity NPD3443 Approved
0.7111 Intermediate Similarity NPD3444 Approved
0.7107 Intermediate Similarity NPD7199 Phase 2
0.7103 Intermediate Similarity NPD4536 Approved
0.7103 Intermediate Similarity NPD4537 Clinical (unspecified phase)
0.7103 Intermediate Similarity NPD4538 Approved
0.7103 Intermediate Similarity NPD2200 Suspended
0.7101 Intermediate Similarity NPD1669 Approved
0.7099 Intermediate Similarity NPD821 Approved
0.7097 Intermediate Similarity NPD37 Approved
0.7095 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7095 Intermediate Similarity NPD6674 Discontinued
0.7089 Intermediate Similarity NPD6234 Discontinued
0.7086 Intermediate Similarity NPD2532 Approved
0.7086 Intermediate Similarity NPD2534 Approved
0.7086 Intermediate Similarity NPD2533 Approved
0.7083 Intermediate Similarity NPD6355 Discontinued
0.7081 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7081 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7081 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7081 Intermediate Similarity NPD6166 Phase 2
0.708 Intermediate Similarity NPD1281 Approved
0.7075 Intermediate Similarity NPD5763 Approved
0.7075 Intermediate Similarity NPD5762 Approved
0.7075 Intermediate Similarity NPD2344 Approved
0.7075 Intermediate Similarity NPD3540 Phase 1
0.7071 Intermediate Similarity NPD3691 Phase 2
0.7071 Intermediate Similarity NPD3690 Phase 2
0.707 Intermediate Similarity NPD4965 Approved
0.707 Intermediate Similarity NPD4966 Approved
0.707 Intermediate Similarity NPD4967 Phase 2
0.7068 Intermediate Similarity NPD2557 Approved
0.7067 Intermediate Similarity NPD6667 Approved
0.7067 Intermediate Similarity NPD6666 Approved
0.7051 Intermediate Similarity NPD1465 Phase 2
0.7051 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7051 Intermediate Similarity NPD5929 Approved
0.7049 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.704 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.7039 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.7039 Intermediate Similarity NPD5261 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD6581 Approved
0.7037 Intermediate Similarity NPD6580 Approved
0.7032 Intermediate Similarity NPD6072 Discontinued
0.7029 Intermediate Similarity NPD2235 Phase 2
0.7029 Intermediate Similarity NPD2231 Phase 2
0.702 Intermediate Similarity NPD6799 Approved
0.7019 Intermediate Similarity NPD7184 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   10084385
ChEMBL   CHEMBL446307
ZINC  

Physicochemical Properties

Molecular Weight:  268.11
ALogP:  -0.0128
MLogP:  3
XLogP:  3.482
# Rotatable Bonds:  5
Polar Surface Area:  49.69
# H-Bond Aceptor:  0
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  20

Download Data

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