Natural Product: NPC8302

Natural Product ID:  NPC8302
Common Name:   Terricollene C
IUPAC Name:   (4-buta-2,3-dienoxyphenyl)methanol
Synonyms:   Terricollene C
Molecular Formula:   C11H12O2
Standard InCHIKey:  LUYBTTHXSOULBZ-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C11H12O2/c1-2-3-8-13-11-6-4-10(9-12)5-7-11/h3-7,12H,1,8-9H2
Canonical SMILES:  OCc1ccc(cc1)OCC=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
NPO1743 Neurospora terricola Species Sordariaceae Eukaryota PMID[19795843]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 76580 nM 15620248
NPT165 Cell Line HeLa Homo sapiens IC50 = 85200 nM 11325233
NPT83 Cell Line MCF7 Homo sapiens IC50 = 113600 nM 21925888
NPT91 Cell Line KB Homo sapiens IC50 = 74450 nM 23623491

  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 NPC8302 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
0.9592 High Similarity NPC305205
0.93 High Similarity NPC38079
0.93 High Similarity NPC108875
0.9293 High Similarity NPC51633
0.9238 High Similarity NPC301735
0.9216 High Similarity NPC251306
0.9208 High Similarity NPC470393
0.92 High Similarity NPC192596
0.9151 High Similarity NPC235250
0.9151 High Similarity NPC161696
0.9091 High Similarity NPC100870
0.8962 High Similarity NPC115379
0.8899 High Similarity NPC142042
0.8774 High Similarity NPC46844
0.8762 High Similarity NPC291837
0.8667 High Similarity NPC194034
0.8654 High Similarity NPC238115
0.8649 High Similarity NPC74821
0.8598 High Similarity NPC88868
0.8598 High Similarity NPC25067
0.8598 High Similarity NPC231251
0.8584 High Similarity NPC269242
0.8571 High Similarity NPC300478
0.8571 High Similarity NPC295259
0.8529 High Similarity NPC471576
0.8519 High Similarity NPC266932
0.8519 High Similarity NPC55300
0.8496 Intermediate Similarity NPC258979
0.8496 Intermediate Similarity NPC8283
0.8496 Intermediate Similarity NPC93398
0.8485 Intermediate Similarity NPC321956
0.8482 Intermediate Similarity NPC101503
0.8476 Intermediate Similarity NPC473855
0.8469 Intermediate Similarity NPC177844
0.8469 Intermediate Similarity NPC99886
0.8469 Intermediate Similarity NPC8002
0.8469 Intermediate Similarity NPC259134
0.8468 Intermediate Similarity NPC221049
0.844 Intermediate Similarity NPC165646
0.8431 Intermediate Similarity NPC95755
0.8426 Intermediate Similarity NPC106141
0.8421 Intermediate Similarity NPC469412
0.8421 Intermediate Similarity NPC198734
0.8416 Intermediate Similarity NPC313650
0.8396 Intermediate Similarity NPC113457
0.8384 Intermediate Similarity NPC71853
0.8384 Intermediate Similarity NPC300017
0.8381 Intermediate Similarity NPC474603
0.8381 Intermediate Similarity NPC283546
0.8381 Intermediate Similarity NPC12987
0.8367 Intermediate Similarity NPC104216
0.8348 Intermediate Similarity NPC193364
0.8348 Intermediate Similarity NPC54972
0.8333 Intermediate Similarity NPC60589
0.8333 Intermediate Similarity NPC474272
0.8333 Intermediate Similarity NPC265211
0.8333 Intermediate Similarity NPC469708
0.8333 Intermediate Similarity NPC306045
0.8319 Intermediate Similarity NPC255675
0.8318 Intermediate Similarity NPC227894
0.8302 Intermediate Similarity NPC128730
0.8291 Intermediate Similarity NPC109822
0.8291 Intermediate Similarity NPC94276
0.8276 Intermediate Similarity NPC71090
0.8276 Intermediate Similarity NPC69403
0.8276 Intermediate Similarity NPC36016
0.8276 Intermediate Similarity NPC150026
0.8276 Intermediate Similarity NPC100099
0.8276 Intermediate Similarity NPC291189
0.8273 Intermediate Similarity NPC153795
0.8273 Intermediate Similarity NPC42911
0.8273 Intermediate Similarity NPC280606
0.8273 Intermediate Similarity NPC290353
0.8269 Intermediate Similarity NPC107101
0.8261 Intermediate Similarity NPC199023
0.8257 Intermediate Similarity NPC137685
0.8246 Intermediate Similarity NPC135961
0.8246 Intermediate Similarity NPC181969
0.8246 Intermediate Similarity NPC320987
0.8241 Intermediate Similarity NPC241549
0.8241 Intermediate Similarity NPC75440
0.8224 Intermediate Similarity NPC176971
0.8224 Intermediate Similarity NPC164576
0.8224 Intermediate Similarity NPC473653
0.822 Intermediate Similarity NPC194519
0.822 Intermediate Similarity NPC207179
0.822 Intermediate Similarity NPC167571
0.822 Intermediate Similarity NPC81641
0.822 Intermediate Similarity NPC278552
0.8218 Intermediate Similarity NPC325292
0.8218 Intermediate Similarity NPC138117
0.8214 Intermediate Similarity NPC185541
0.8214 Intermediate Similarity NPC301321
0.8214 Intermediate Similarity NPC464
0.8208 Intermediate Similarity NPC2518
0.8205 Intermediate Similarity NPC76465
0.8205 Intermediate Similarity NPC38761
0.82 Intermediate Similarity NPC318429
0.819 Intermediate Similarity NPC212965
0.819 Intermediate Similarity NPC226712
0.819 Intermediate Similarity NPC470804
0.819 Intermediate Similarity NPC307425
0.8182 Intermediate Similarity NPC78918
0.8182 Intermediate Similarity NPC296920
0.8182 Intermediate Similarity NPC139617
0.8182 Intermediate Similarity NPC255068
0.8182 Intermediate Similarity NPC90520
0.8174 Intermediate Similarity NPC35071
0.8174 Intermediate Similarity NPC177475
0.8174 Intermediate Similarity NPC148615
0.8173 Intermediate Similarity NPC171843
0.8151 Intermediate Similarity NPC58607
0.8151 Intermediate Similarity NPC191037
0.8151 Intermediate Similarity NPC178284
0.8151 Intermediate Similarity NPC276212
0.8148 Intermediate Similarity NPC151530
0.8148 Intermediate Similarity NPC258171
0.8148 Intermediate Similarity NPC157473
0.8142 Intermediate Similarity NPC154256
0.8142 Intermediate Similarity NPC203113
0.8142 Intermediate Similarity NPC229147
0.8142 Intermediate Similarity NPC290470
0.8142 Intermediate Similarity NPC141090
0.8142 Intermediate Similarity NPC85292
0.8142 Intermediate Similarity NPC54507
0.8137 Intermediate Similarity NPC471581
0.8136 Intermediate Similarity NPC106914
0.8136 Intermediate Similarity NPC246648
0.8136 Intermediate Similarity NPC221798
0.8136 Intermediate Similarity NPC293701
0.8136 Intermediate Similarity NPC197351
0.8136 Intermediate Similarity NPC86502
0.8136 Intermediate Similarity NPC48990
0.8136 Intermediate Similarity NPC114901
0.8136 Intermediate Similarity NPC134195
0.8125 Intermediate Similarity NPC228287
0.8125 Intermediate Similarity NPC180508
0.812 Intermediate Similarity NPC120638
0.812 Intermediate Similarity NPC209567
0.8113 Intermediate Similarity NPC179686
0.8103 Intermediate Similarity NPC473875
0.8103 Intermediate Similarity NPC96423
0.8103 Intermediate Similarity NPC475529
0.8095 Intermediate Similarity NPC13755
0.8091 Intermediate Similarity NPC168657
0.8091 Intermediate Similarity NPC94045
0.8087 Intermediate Similarity NPC163036
0.8083 Intermediate Similarity NPC41706
0.8083 Intermediate Similarity NPC121740
0.8083 Intermediate Similarity NPC147821
0.8083 Intermediate Similarity NPC224774
0.8083 Intermediate Similarity NPC163332
0.8083 Intermediate Similarity NPC292056
0.8083 Intermediate Similarity NPC183181
0.8083 Intermediate Similarity NPC319625
0.8083 Intermediate Similarity NPC111247
0.8083 Intermediate Similarity NPC118787
0.8083 Intermediate Similarity NPC258567
0.8077 Intermediate Similarity NPC175298
0.8073 Intermediate Similarity NPC201959
0.807 Intermediate Similarity NPC474933
0.807 Intermediate Similarity NPC195466
0.8067 Intermediate Similarity NPC102540
0.8067 Intermediate Similarity NPC188022
0.8067 Intermediate Similarity NPC17809
0.8067 Intermediate Similarity NPC103420
0.8067 Intermediate Similarity NPC285040
0.8056 Intermediate Similarity NPC92623
0.8056 Intermediate Similarity NPC135464
0.8036 Intermediate Similarity NPC123175
0.8036 Intermediate Similarity NPC176730
0.8034 Intermediate Similarity NPC290451
0.8034 Intermediate Similarity NPC97432
0.8034 Intermediate Similarity NPC127389
0.8034 Intermediate Similarity NPC190454
0.8034 Intermediate Similarity NPC52247
0.8019 Intermediate Similarity NPC300166
0.8018 Intermediate Similarity NPC156840
0.8018 Intermediate Similarity NPC257124
0.8018 Intermediate Similarity NPC173746
0.8018 Intermediate Similarity NPC8547
0.8017 Intermediate Similarity NPC72529
0.8017 Intermediate Similarity NPC247553
0.8017 Intermediate Similarity NPC274717
0.8017 Intermediate Similarity NPC229401
0.8017 Intermediate Similarity NPC469453
0.8 Intermediate Similarity NPC230479
0.8 Intermediate Similarity NPC50315
0.8 Intermediate Similarity NPC475236
0.8 Intermediate Similarity NPC262573
0.8 Intermediate Similarity NPC246358
0.8 Intermediate Similarity NPC131118
0.8 Intermediate Similarity NPC283616
0.8 Intermediate Similarity NPC63083
0.8 Intermediate Similarity NPC471215
0.8 Intermediate Similarity NPC233731
0.8 Intermediate Similarity NPC283049
0.8 Intermediate Similarity NPC26879
0.8 Intermediate Similarity NPC36108
0.8 Intermediate Similarity NPC7097

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC8302 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
0.8762 High Similarity NPD2684 Approved
0.875 High Similarity NPD968 Approved
0.8667 High Similarity NPD290 Approved
0.8649 High Similarity NPD1548 Phase 1
0.844 Intermediate Similarity NPD821 Approved
0.844 Intermediate Similarity NPD7843 Approved
0.8348 Intermediate Similarity NPD1610 Phase 2
0.8214 Intermediate Similarity NPD7157 Approved
0.82 Intermediate Similarity NPD9365 Approved
0.819 Intermediate Similarity NPD1091 Approved
0.8034 Intermediate Similarity NPD422 Phase 1
0.8018 Intermediate Similarity NPD228 Approved
0.7934 Intermediate Similarity NPD2861 Phase 2
0.789 Intermediate Similarity NPD3134 Approved
0.7876 Intermediate Similarity NPD1241 Discontinued
0.7869 Intermediate Similarity NPD4908 Phase 1
0.7863 Intermediate Similarity NPD1778 Approved
0.7863 Intermediate Similarity NPD5846 Approved
0.7863 Intermediate Similarity NPD6516 Phase 2
0.7845 Intermediate Similarity NPD1894 Discontinued
0.7818 Intermediate Similarity NPD1358 Approved
0.7778 Intermediate Similarity NPD111 Approved
0.776 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.776 Intermediate Similarity NPD1613 Approved
0.775 Intermediate Similarity NPD6583 Phase 3
0.775 Intermediate Similarity NPD6582 Phase 2
0.775 Intermediate Similarity NPD3685 Discontinued
0.7742 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7739 Intermediate Similarity NPD6671 Approved
0.7692 Intermediate Similarity NPD1182 Approved
0.7692 Intermediate Similarity NPD9545 Approved
0.7686 Intermediate Similarity NPD8651 Approved
0.7685 Intermediate Similarity NPD291 Approved
0.7667 Intermediate Similarity NPD2235 Phase 2
0.7667 Intermediate Similarity NPD2231 Phase 2
0.7661 Intermediate Similarity NPD3179 Approved
0.7661 Intermediate Similarity NPD3180 Approved
0.7647 Intermediate Similarity NPD9295 Approved
0.7636 Intermediate Similarity NPD9697 Approved
0.7632 Intermediate Similarity NPD5535 Approved
0.7627 Intermediate Similarity NPD1357 Approved
0.7619 Intermediate Similarity NPD2933 Approved
0.7619 Intermediate Similarity NPD2934 Approved
0.76 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7583 Intermediate Similarity NPD1535 Discovery
0.7581 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7561 Intermediate Similarity NPD3691 Phase 2
0.7561 Intermediate Similarity NPD6584 Phase 3
0.7561 Intermediate Similarity NPD3690 Phase 2
0.7547 Intermediate Similarity NPD2859 Approved
0.7547 Intermediate Similarity NPD2860 Approved
0.7523 Intermediate Similarity NPD940 Approved
0.7523 Intermediate Similarity NPD846 Approved
0.7522 Intermediate Similarity NPD5451 Approved
0.7522 Intermediate Similarity NPD9380 Clinical (unspecified phase)
0.7521 Intermediate Similarity NPD3596 Phase 2
0.7521 Intermediate Similarity NPD1608 Approved
0.7521 Intermediate Similarity NPD1481 Phase 2
0.752 Intermediate Similarity NPD3027 Phase 3
0.75 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD3054 Approved
0.75 Intermediate Similarity NPD3496 Discontinued
0.75 Intermediate Similarity NPD3052 Approved
0.748 Intermediate Similarity NPD1820 Approved
0.748 Intermediate Similarity NPD1819 Approved
0.748 Intermediate Similarity NPD1818 Approved
0.748 Intermediate Similarity NPD1817 Approved
0.746 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7459 Intermediate Similarity NPD4749 Approved
0.7453 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.7431 Intermediate Similarity NPD1242 Phase 1
0.7422 Intermediate Similarity NPD4340 Discontinued
0.7398 Intermediate Similarity NPD3225 Approved
0.7395 Intermediate Similarity NPD6580 Approved
0.7395 Intermediate Similarity NPD6581 Approved
0.7387 Intermediate Similarity NPD9501 Approved
0.7377 Intermediate Similarity NPD1840 Phase 2
0.736 Intermediate Similarity NPD454 Approved
0.7345 Intermediate Similarity NPD9552 Approved
0.7344 Intermediate Similarity NPD1558 Phase 1
0.7339 Intermediate Similarity NPD3020 Approved
0.7333 Intermediate Similarity NPD6830 Clinical (unspecified phase)
0.732 Intermediate Similarity NPD9294 Approved
0.7308 Intermediate Similarity NPD4537 Clinical (unspecified phase)
0.7308 Intermediate Similarity NPD4536 Approved
0.7308 Intermediate Similarity NPD4538 Approved
0.7295 Intermediate Similarity NPD3705 Approved
0.729 Intermediate Similarity NPD9296 Approved
0.7288 Intermediate Similarity NPD2557 Approved
0.7287 Intermediate Similarity NPD5124 Phase 1
0.7287 Intermediate Similarity NPD5735 Approved
0.7287 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.728 Intermediate Similarity NPD558 Phase 2
0.728 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD2668 Approved
0.7273 Intermediate Similarity NPD2667 Approved
0.7273 Intermediate Similarity NPD17 Approved
0.7273 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD4626 Approved
0.7273 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7266 Intermediate Similarity NPD1423 Approved
0.7265 Intermediate Similarity NPD5283 Phase 1
0.7265 Intermediate Similarity NPD594 Approved
0.7265 Intermediate Similarity NPD592 Approved
0.7258 Intermediate Similarity NPD6696 Suspended
0.7252 Intermediate Similarity NPD5588 Approved
0.7252 Intermediate Similarity NPD7033 Discontinued
0.7252 Intermediate Similarity NPD5960 Phase 3
0.7244 Intermediate Similarity NPD3167 Approved
0.7244 Intermediate Similarity NPD6179 Discontinued
0.7244 Intermediate Similarity NPD4625 Phase 3
0.7244 Intermediate Similarity NPD3165 Approved
0.7244 Intermediate Similarity NPD3164 Approved
0.7244 Intermediate Similarity NPD3166 Approved
0.7244 Intermediate Similarity NPD5163 Phase 2
0.7239 Intermediate Similarity NPD4628 Phase 3
0.7236 Intermediate Similarity NPD9717 Approved
0.7222 Intermediate Similarity NPD4993 Discontinued
0.7218 Intermediate Similarity NPD1549 Phase 2
0.7213 Intermediate Similarity NPD3847 Discontinued
0.7209 Intermediate Similarity NPD4060 Phase 1
0.7209 Intermediate Similarity NPD4140 Approved
0.72 Intermediate Similarity NPD1794 Approved
0.72 Intermediate Similarity NPD3568 Approved
0.72 Intermediate Similarity NPD987 Approved
0.72 Intermediate Similarity NPD3567 Approved
0.719 Intermediate Similarity NPD6382 Discontinued
0.719 Intermediate Similarity NPD5585 Approved
0.719 Intermediate Similarity NPD5691 Approved
0.7188 Intermediate Similarity NPD6798 Discontinued
0.7188 Intermediate Similarity NPD3056 Clinical (unspecified phase)
0.7177 Intermediate Similarity NPD5327 Phase 3
0.7177 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7165 Intermediate Similarity NPD682 Discontinued
0.7164 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7164 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7164 Intermediate Similarity NPD1652 Phase 2
0.7132 Intermediate Similarity NPD3058 Clinical (unspecified phase)
0.7132 Intermediate Similarity NPD6667 Approved
0.7132 Intermediate Similarity NPD6666 Approved
0.7132 Intermediate Similarity NPD6233 Phase 2
0.7132 Intermediate Similarity NPD4062 Phase 3
0.7087 Intermediate Similarity NPD1712 Approved
0.7077 Intermediate Similarity NPD2238 Phase 2
0.7077 Intermediate Similarity NPD1240 Approved
0.7077 Intermediate Similarity NPD5837 Clinical (unspecified phase)
0.7069 Intermediate Similarity NPD556 Approved
0.7068 Intermediate Similarity NPD1551 Phase 2
0.7064 Intermediate Similarity NPD844 Approved
0.7064 Intermediate Similarity NPD1809 Phase 2
0.7063 Intermediate Similarity NPD2797 Approved
0.7063 Intermediate Similarity NPD6362 Approved
0.7063 Intermediate Similarity NPD1203 Approved
0.7054 Intermediate Similarity NPD1048 Approved
0.7049 Intermediate Similarity NPD3444 Approved
0.7049 Intermediate Similarity NPD3443 Approved
0.7049 Intermediate Similarity NPD3049 Approved
0.7049 Intermediate Similarity NPD3445 Approved
0.704 Intermediate Similarity NPD6540 Phase 3
0.704 Intermediate Similarity NPD2982 Phase 2
0.704 Intermediate Similarity NPD6543 Approved
0.704 Intermediate Similarity NPD2428 Approved
0.704 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.704 Intermediate Similarity NPD6542 Approved
0.704 Intermediate Similarity NPD3676 Clinical (unspecified phase)
0.704 Intermediate Similarity NPD6539 Approved
0.704 Intermediate Similarity NPD2429 Approved
0.704 Intermediate Similarity NPD2983 Phase 2
0.704 Intermediate Similarity NPD4129 Approved
0.7037 Intermediate Similarity NPD845 Approved
0.7034 Intermediate Similarity NPD1138 Approved
0.7031 Intermediate Similarity NPD2614 Approved
0.7031 Intermediate Similarity NPD1008 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD317 Approved
0.7025 Intermediate Similarity NPD856 Approved
0.7025 Intermediate Similarity NPD16 Approved
0.7025 Intermediate Similarity NPD318 Approved
0.7023 Intermediate Similarity NPD6355 Discontinued
0.7016 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7016 Intermediate Similarity NPD776 Approved
0.7015 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7015 Intermediate Similarity NPD1375 Discontinued
0.7015 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7015 Intermediate Similarity NPD6004 Phase 3
0.7015 Intermediate Similarity NPD6005 Phase 3
0.7015 Intermediate Similarity NPD6002 Phase 3
0.7008 Intermediate Similarity NPD5647 Approved
0.7007 Intermediate Similarity NPD5058 Phase 3
0.7007 Intermediate Similarity NPD6815 Approved
0.7 Intermediate Similarity NPD1726 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD709 Approved
0.7 Intermediate Similarity NPD288 Approved
0.7 Intermediate Similarity NPD5745 Approved
0.6992 Remote Similarity NPD1510 Phase 2
0.6992 Remote Similarity NPD2554 Approved
0.6992 Remote Similarity NPD2556 Approved
0.6984 Remote Similarity NPD6538 Approved
0.6984 Remote Similarity NPD6541 Approved
0.6984 Remote Similarity NPD1283 Approved
0.6984 Remote Similarity NPD196 Phase 1

Structure

External Identifiers

PubChem CID   44426063
ChEMBL   CHEMBL230162
ZINC  

Physicochemical Properties

Molecular Weight:  176.08
ALogP:  0.4115
MLogP:  2.45
XLogP:  3.901
# Rotatable Bonds:  5
Polar Surface Area:  29.46
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  13

Download Data

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Structure MOL file  
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Biological Activities  
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