Natural Product: NPC235166

Natural Product ID:  NPC235166
Common Name:   Spongiadioxin C Methyl Ether
IUPAC Name:   1,3,8-tribromo-6-methoxydibenzo-p-dioxin
Synonyms:   spongiadioxin C methyl ether
Molecular Formula:   C13H7Br3O3
Standard InCHIKey:  ISKZNWAHDOTSGW-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C13H7Br3O3/c1-17-9-3-7(15)5-11-13(9)19-10-4-6(14)2-8(16)12(10)18-11/h2-5H,1H3
Canonical SMILES:  COc1cc(Br)cc2c1Oc1cc(Br)cc(c1O2)Br
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
NPO24471 Dysidea dendyi Species Dysideidae Eukaryota PMID[12193037]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 166000 nM 24467317

  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 NPC235166 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
0.9744 High Similarity NPC163019
0.9744 High Similarity NPC1744
0.9256 High Similarity NPC45728
0.9032 High Similarity NPC222684
0.9032 High Similarity NPC206183
0.8966 High Similarity NPC221301
0.896 High Similarity NPC178301
0.8889 High Similarity NPC162294
0.8814 High Similarity NPC264379
0.8667 High Similarity NPC71186
0.8455 Intermediate Similarity NPC170824
0.8387 Intermediate Similarity NPC88733
0.8387 Intermediate Similarity NPC173511
0.8361 Intermediate Similarity NPC104124
0.8293 Intermediate Similarity NPC86007
0.8293 Intermediate Similarity NPC44270
0.8254 Intermediate Similarity NPC230013
0.8254 Intermediate Similarity NPC68350
0.8254 Intermediate Similarity NPC81149
0.8254 Intermediate Similarity NPC131940
0.8254 Intermediate Similarity NPC197576
0.8226 Intermediate Similarity NPC41232
0.8226 Intermediate Similarity NPC63317
0.8162 Intermediate Similarity NPC8577
0.8162 Intermediate Similarity NPC286337
0.816 Intermediate Similarity NPC196371
0.816 Intermediate Similarity NPC299939
0.816 Intermediate Similarity NPC226737
0.816 Intermediate Similarity NPC153580
0.816 Intermediate Similarity NPC47769
0.8095 Intermediate Similarity NPC40302
0.8095 Intermediate Similarity NPC137922
0.8065 Intermediate Similarity NPC191194
0.8031 Intermediate Similarity NPC159866
0.8031 Intermediate Similarity NPC64130
0.8031 Intermediate Similarity NPC175520
0.8031 Intermediate Similarity NPC295879
0.8031 Intermediate Similarity NPC25134
0.8031 Intermediate Similarity NPC97157
0.8017 Intermediate Similarity NPC319933
0.7953 Intermediate Similarity NPC474375
0.7347 Intermediate Similarity NPC152947
0.7176 Intermediate Similarity NPC214289
0.7154 Intermediate Similarity NPC151617
0.7154 Intermediate Similarity NPC76915
0.7154 Intermediate Similarity NPC307875
0.713 Intermediate Similarity NPC47422
0.7097 Intermediate Similarity NPC232654
0.7069 Intermediate Similarity NPC302546
0.7068 Intermediate Similarity NPC205850
0.7068 Intermediate Similarity NPC472596
0.6963 Remote Similarity NPC105147
0.6963 Remote Similarity NPC228875
0.6963 Remote Similarity NPC261661
0.6963 Remote Similarity NPC126216
0.6947 Remote Similarity NPC123948
0.694 Remote Similarity NPC276195
0.6929 Remote Similarity NPC165386
0.6912 Remote Similarity NPC217854
0.6906 Remote Similarity NPC31707
0.6906 Remote Similarity NPC247146
0.6905 Remote Similarity NPC124712
0.6897 Remote Similarity NPC206876
0.6889 Remote Similarity NPC145780
0.6884 Remote Similarity NPC244364
0.6861 Remote Similarity NPC236265
0.6861 Remote Similarity NPC25817
0.6838 Remote Similarity NPC152722
0.6822 Remote Similarity NPC203924
0.6791 Remote Similarity NPC475961
0.6791 Remote Similarity NPC15805
0.6791 Remote Similarity NPC254625
0.6788 Remote Similarity NPC192810
0.6763 Remote Similarity NPC189589
0.6763 Remote Similarity NPC110677
0.6763 Remote Similarity NPC298845
0.6763 Remote Similarity NPC469622
0.6761 Remote Similarity NPC469698
0.6761 Remote Similarity NPC473412
0.6739 Remote Similarity NPC221090
0.6738 Remote Similarity NPC474227
0.6718 Remote Similarity NPC204120
0.6715 Remote Similarity NPC194626
0.6714 Remote Similarity NPC37074
0.6714 Remote Similarity NPC194841
0.6714 Remote Similarity NPC474119
0.6714 Remote Similarity NPC210355
0.6714 Remote Similarity NPC216836
0.6713 Remote Similarity NPC86655
0.6713 Remote Similarity NPC127624
0.6713 Remote Similarity NPC202762
0.6694 Remote Similarity NPC16649
0.6693 Remote Similarity NPC473653
0.6692 Remote Similarity NPC255068
0.6691 Remote Similarity NPC166759
0.6691 Remote Similarity NPC199023
0.6689 Remote Similarity NPC113862
0.6667 Remote Similarity NPC210674
0.6667 Remote Similarity NPC474651
0.6667 Remote Similarity NPC474623
0.6667 Remote Similarity NPC172253
0.6667 Remote Similarity NPC59561
0.6667 Remote Similarity NPC263064
0.6667 Remote Similarity NPC63179
0.6643 Remote Similarity NPC474238
0.6643 Remote Similarity NPC171533
0.6642 Remote Similarity NPC75713
0.6642 Remote Similarity NPC477886
0.6641 Remote Similarity NPC35543
0.6638 Remote Similarity NPC125306
0.6621 Remote Similarity NPC170694
0.6621 Remote Similarity NPC474478
0.6621 Remote Similarity NPC245386
0.6621 Remote Similarity NPC317380
0.662 Remote Similarity NPC190629
0.662 Remote Similarity NPC45824
0.662 Remote Similarity NPC210623
0.662 Remote Similarity NPC3439
0.662 Remote Similarity NPC470258
0.662 Remote Similarity NPC285339
0.662 Remote Similarity NPC222004
0.662 Remote Similarity NPC218856
0.662 Remote Similarity NPC202582
0.662 Remote Similarity NPC226788
0.662 Remote Similarity NPC273295
0.6619 Remote Similarity NPC122792
0.6619 Remote Similarity NPC228972
0.6618 Remote Similarity NPC247364
0.6618 Remote Similarity NPC61516
0.6618 Remote Similarity NPC474565
0.6618 Remote Similarity NPC10932
0.6618 Remote Similarity NPC232084
0.6615 Remote Similarity NPC247871
0.6615 Remote Similarity NPC106141
0.6613 Remote Similarity NPC314803
0.6599 Remote Similarity NPC271942
0.6596 Remote Similarity NPC469621
0.6596 Remote Similarity NPC5447
0.6596 Remote Similarity NPC250432
0.6594 Remote Similarity NPC262253
0.6594 Remote Similarity NPC71579
0.6594 Remote Similarity NPC473411
0.6593 Remote Similarity NPC228907
0.6589 Remote Similarity NPC245115
0.6575 Remote Similarity NPC234333
0.6575 Remote Similarity NPC260898
0.6575 Remote Similarity NPC121812
0.6575 Remote Similarity NPC94750
0.6575 Remote Similarity NPC61946
0.6575 Remote Similarity NPC112246
0.6575 Remote Similarity NPC224941
0.6575 Remote Similarity NPC195022
0.6575 Remote Similarity NPC47398
0.6575 Remote Similarity NPC112939
0.6575 Remote Similarity NPC470356
0.6575 Remote Similarity NPC474206
0.6575 Remote Similarity NPC311430
0.6573 Remote Similarity NPC472338
0.6573 Remote Similarity NPC469614
0.6573 Remote Similarity NPC226493
0.6573 Remote Similarity NPC469612
0.6573 Remote Similarity NPC208769
0.6573 Remote Similarity NPC91291
0.6573 Remote Similarity NPC160081
0.6573 Remote Similarity NPC476399
0.6573 Remote Similarity NPC229231
0.6573 Remote Similarity NPC307042
0.6573 Remote Similarity NPC79184
0.6573 Remote Similarity NPC214860
0.6573 Remote Similarity NPC60756
0.6567 Remote Similarity NPC193067
0.6552 Remote Similarity NPC36661
0.6552 Remote Similarity NPC168059
0.6552 Remote Similarity NPC229442
0.6549 Remote Similarity NPC226331
0.6549 Remote Similarity NPC46274
0.6547 Remote Similarity NPC108545
0.6547 Remote Similarity NPC233526
0.6547 Remote Similarity NPC474169
0.6547 Remote Similarity NPC282496
0.6547 Remote Similarity NPC473572
0.6547 Remote Similarity NPC95168
0.6544 Remote Similarity NPC226629
0.6541 Remote Similarity NPC38980
0.6538 Remote Similarity NPC82016
0.6531 Remote Similarity NPC162659
0.6531 Remote Similarity NPC78047
0.6531 Remote Similarity NPC16435
0.6531 Remote Similarity NPC265433
0.6531 Remote Similarity NPC474639
0.6531 Remote Similarity NPC270456
0.6531 Remote Similarity NPC227503
0.6531 Remote Similarity NPC306441
0.6531 Remote Similarity NPC230734
0.6531 Remote Similarity NPC173660
0.6531 Remote Similarity NPC248727
0.6528 Remote Similarity NPC469625
0.6528 Remote Similarity NPC469613
0.6528 Remote Similarity NPC42760
0.6528 Remote Similarity NPC268342

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC235166 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
0.7154 Intermediate Similarity NPD1408 Clinical (unspecified phase)
0.6906 Remote Similarity NPD3537 Clinical (unspecified phase)
0.6842 Remote Similarity NPD7534 Approved
0.6842 Remote Similarity NPD7533 Approved
0.6774 Remote Similarity NPD291 Approved
0.6596 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6594 Remote Similarity NPD2981 Phase 2
0.6549 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6547 Remote Similarity NPD2983 Phase 2
0.6547 Remote Similarity NPD2982 Phase 2
0.6483 Remote Similarity NPD1613 Approved
0.6483 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6471 Remote Similarity NPD1548 Phase 1
0.6446 Remote Similarity NPD9365 Approved
0.6423 Remote Similarity NPD9296 Approved
0.6412 Remote Similarity NPD556 Approved
0.6403 Remote Similarity NPD1610 Phase 2
0.6376 Remote Similarity NPD3454 Phase 3
0.6364 Remote Similarity NPD3018 Phase 2
0.6312 Remote Similarity NPD4288 Approved
0.6276 Remote Similarity NPD3027 Phase 3
0.6207 Remote Similarity NPD4908 Phase 1
0.6201 Remote Similarity NPD8095 Phase 1
0.6181 Remote Similarity NPD1469 Clinical (unspecified phase)
0.6159 Remote Similarity NPD1103 Approved
0.6159 Remote Similarity NPD1102 Approved
0.6122 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6103 Remote Similarity NPD5283 Phase 1
0.6084 Remote Similarity NPD4749 Approved
0.6066 Remote Similarity NPD9094 Approved
0.6054 Remote Similarity NPD4625 Phase 3
0.6015 Remote Similarity NPD290 Approved
0.6 Remote Similarity NPD1933 Approved
0.5948 Remote Similarity NPD3539 Phase 1
0.5944 Remote Similarity NPD422 Phase 1
0.5944 Remote Similarity NPD1091 Approved
0.594 Remote Similarity NPD968 Approved
0.5929 Remote Similarity NPD5536 Phase 2
0.5912 Remote Similarity NPD2183 Approved
0.5912 Remote Similarity NPD2184 Approved
0.5909 Remote Similarity NPD3540 Phase 1
0.5909 Remote Similarity NPD9501 Approved
0.5906 Remote Similarity NPD6859 Clinical (unspecified phase)
0.5906 Remote Similarity NPD6410 Clinical (unspecified phase)
0.5896 Remote Similarity NPD9552 Approved
0.589 Remote Similarity NPD1934 Approved
0.5887 Remote Similarity NPD9295 Approved
0.5882 Remote Similarity NPD9093 Approved
0.5874 Remote Similarity NPD155 Clinical (unspecified phase)
0.5874 Remote Similarity NPD915 Approved
0.5867 Remote Similarity NPD3531 Approved
0.5867 Remote Similarity NPD3532 Approved
0.5867 Remote Similarity NPD3530 Approved
0.586 Remote Similarity NPD5307 Clinical (unspecified phase)
0.5852 Remote Similarity NPD2684 Approved
0.5845 Remote Similarity NPD1798 Approved
0.5845 Remote Similarity NPD1797 Approved
0.5839 Remote Similarity NPD228 Approved
0.5833 Remote Similarity NPD3705 Approved
0.5833 Remote Similarity NPD9089 Approved
0.5828 Remote Similarity NPD1558 Phase 1
0.5813 Remote Similarity NPD1940 Clinical (unspecified phase)
0.5802 Remote Similarity NPD6055 Clinical (unspecified phase)
0.5799 Remote Similarity NPD4010 Discontinued
0.5797 Remote Similarity NPD5535 Approved
0.5793 Remote Similarity NPD3382 Approved
0.5793 Remote Similarity NPD3384 Approved
0.5793 Remote Similarity NPD3383 Approved
0.5789 Remote Similarity NPD9244 Approved
0.5782 Remote Similarity NPD1318 Phase 2
0.5772 Remote Similarity NPD5752 Clinical (unspecified phase)
0.5767 Remote Similarity NPD4675 Approved
0.5767 Remote Similarity NPD4678 Approved
0.5767 Remote Similarity NPD1009 Approved
0.5766 Remote Similarity NPD2673 Approved
0.5766 Remote Similarity NPD2671 Approved
0.5765 Remote Similarity NPD6687 Approved
0.5765 Remote Similarity NPD6688 Approved
0.5758 Remote Similarity NPD2801 Approved
0.5754 Remote Similarity NPD4287 Approved
0.5742 Remote Similarity NPD2796 Approved
0.5741 Remote Similarity NPD1653 Approved
0.5732 Remote Similarity NPD1652 Phase 2
0.5723 Remote Similarity NPD3817 Phase 2
0.5723 Remote Similarity NPD7124 Phase 2
0.5714 Remote Similarity NPD6111 Discontinued
0.5714 Remote Similarity NPD2200 Suspended
0.5705 Remote Similarity NPD1550 Clinical (unspecified phase)
0.5705 Remote Similarity NPD1552 Clinical (unspecified phase)
0.5696 Remote Similarity NPD7466 Approved
0.5694 Remote Similarity NPD5846 Approved
0.5694 Remote Similarity NPD17 Approved
0.5694 Remote Similarity NPD6516 Phase 2
0.5693 Remote Similarity NPD5451 Approved
0.5689 Remote Similarity NPD5019 Clinical (unspecified phase)
0.5687 Remote Similarity NPD1511 Approved
0.5687 Remote Similarity NPD4357 Discontinued
0.5683 Remote Similarity NPD769 Approved
0.5683 Remote Similarity NPD7843 Approved
0.568 Remote Similarity NPD5494 Approved
0.568 Remote Similarity NPD5677 Discontinued
0.5679 Remote Similarity NPD6980 Clinical (unspecified phase)
0.5677 Remote Similarity NPD6028 Clinical (unspecified phase)
0.5677 Remote Similarity NPD6029 Clinical (unspecified phase)
0.5676 Remote Similarity NPD9549 Phase 2
0.5676 Remote Similarity NPD3827 Clinical (unspecified phase)
0.5669 Remote Similarity NPD1549 Phase 2
0.5667 Remote Similarity NPD1008 Clinical (unspecified phase)
0.5663 Remote Similarity NPD2393 Clinical (unspecified phase)
0.5662 Remote Similarity NPD1358 Approved
0.5646 Remote Similarity NPD4379 Clinical (unspecified phase)
0.5641 Remote Similarity NPD6099 Approved
0.5641 Remote Similarity NPD6100 Approved
0.563 Remote Similarity NPD9697 Approved
0.5629 Remote Similarity NPD6374 Clinical (unspecified phase)
0.5625 Remote Similarity NPD6382 Discontinued
0.5617 Remote Similarity NPD1512 Approved
0.5613 Remote Similarity NPD4536 Approved
0.5613 Remote Similarity NPD4537 Clinical (unspecified phase)
0.5613 Remote Similarity NPD4538 Approved
0.561 Remote Similarity NPD7261 Clinical (unspecified phase)
0.561 Remote Similarity NPD4005 Discontinued
0.5608 Remote Similarity NPD3225 Approved
0.5608 Remote Similarity NPD2922 Phase 1
0.5603 Remote Similarity NPD9299 Approved
0.56 Remote Similarity NPD2861 Phase 2

Structure

External Identifiers

PubChem CID   11134158
ChEMBL   CHEMBL502363
ZINC  

Physicochemical Properties

Molecular Weight:  447.79
ALogP:  2.3064
MLogP:  2.23
XLogP:  4.634
# Rotatable Bonds:  5
Polar Surface Area:  27.69
# H-Bond Aceptor:  0
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  19

Download Data

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Similar NPs/Drugs