Natural Product: NPC470699

Natural Product ID:  NPC470699
Common Name:   Dehydrorobustol A
IUPAC Name:  
Synonyms:  
Molecular Formula:   C26H34O4
Standard InCHIKey:  LWPGCSYZHNHGJW-HNQUOIGGSA-N
Standard InCHI:  InChI=1S/C26H34O4/c27-22-15-20-13-11-9-7-5-3-1-2-4-6-8-10-12-14-21-17-24(28)26(25(29)18-21)30-23(16-20)19-22/h1,3,15-19,27-29H,2,4-14H2/b3-1+
Canonical SMILES:  Oc1cc2CCCCC/C=C/CCCCCCCc3cc(c(Oc(c1)c2)c(O)c3)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
NPO8945 Grevillea robusta Species Proteaceae Eukaryota Leaves PMID[17243726]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT397 Cell Line NCI-H460 Homo sapiens IC50 = 28000 nM 25221651
NPT83 Cell Line MCF7 Homo sapiens IC50 = 31800 nM 23675651
NPT395 Cell Line SF-268 Homo sapiens IC50 = 33100 nM 16137881

  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 NPC470699 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
0.9917 High Similarity NPC181361
0.975 High Similarity NPC122792
0.975 High Similarity NPC228972
0.9672 High Similarity NPC210355
0.96 High Similarity NPC470752
0.952 High Similarity NPC309787
0.9508 High Similarity NPC116907
0.9508 High Similarity NPC472093
0.9508 High Similarity NPC298757
0.9508 High Similarity NPC57490
0.9508 High Similarity NPC203133
0.9508 High Similarity NPC117214
0.9508 High Similarity NPC193544
0.9508 High Similarity NPC475169
0.9508 High Similarity NPC221077
0.9508 High Similarity NPC233410
0.9508 High Similarity NPC17943
0.9508 High Similarity NPC251855
0.9508 High Similarity NPC208950
0.9444 High Similarity NPC474134
0.9444 High Similarity NPC131128
0.944 High Similarity NPC472338
0.937 High Similarity NPC475840
0.9365 High Similarity NPC472597
0.9355 High Similarity NPC246620
0.9355 High Similarity NPC124452
0.9355 High Similarity NPC82679
0.9355 High Similarity NPC127587
0.9355 High Similarity NPC236791
0.9355 High Similarity NPC282000
0.9355 High Similarity NPC324112
0.9355 High Similarity NPC159968
0.9355 High Similarity NPC74817
0.9355 High Similarity NPC169474
0.9355 High Similarity NPC293054
0.9344 High Similarity NPC282496
0.9344 High Similarity NPC197757
0.9344 High Similarity NPC228922
0.9344 High Similarity NPC233526
0.9344 High Similarity NPC136319
0.9339 High Similarity NPC145780
0.9297 High Similarity NPC66840
0.9297 High Similarity NPC317380
0.9297 High Similarity NPC256307
0.9291 High Similarity NPC202762
0.9291 High Similarity NPC127624
0.9291 High Similarity NPC35932
0.9291 High Similarity NPC16208
0.9291 High Similarity NPC160991
0.9291 High Similarity NPC7903
0.9291 High Similarity NPC86655
0.9291 High Similarity NPC184447
0.9286 High Similarity NPC91291
0.928 High Similarity NPC186843
0.928 High Similarity NPC206615
0.928 High Similarity NPC46274
0.928 High Similarity NPC470213
0.928 High Similarity NPC226331
0.928 High Similarity NPC98631
0.9274 High Similarity NPC28730
0.9274 High Similarity NPC103823
0.9274 High Similarity NPC44748
0.9274 High Similarity NPC76451
0.9274 High Similarity NPC18924
0.9274 High Similarity NPC214406
0.9274 High Similarity NPC78974
0.9274 High Similarity NPC223136
0.9262 High Similarity NPC71579
0.9262 High Similarity NPC41562
0.9262 High Similarity NPC262253
0.9262 High Similarity NPC473411
0.9225 High Similarity NPC112246
0.9225 High Similarity NPC112939
0.9225 High Similarity NPC121812
0.9225 High Similarity NPC470356
0.9225 High Similarity NPC94750
0.9225 High Similarity NPC474206
0.9219 High Similarity NPC229442
0.9219 High Similarity NPC168059
0.9213 High Similarity NPC469613
0.9213 High Similarity NPC470095
0.9213 High Similarity NPC469625
0.9213 High Similarity NPC470096
0.9213 High Similarity NPC30043
0.9206 High Similarity NPC226788
0.9206 High Similarity NPC3439
0.9206 High Similarity NPC190629
0.9206 High Similarity NPC202582
0.9206 High Similarity NPC218856
0.9206 High Similarity NPC470258
0.9206 High Similarity NPC170844
0.9206 High Similarity NPC476968
0.9206 High Similarity NPC210623
0.9206 High Similarity NPC222004
0.9206 High Similarity NPC285339
0.9206 High Similarity NPC273295
0.92 High Similarity NPC5447
0.92 High Similarity NPC250432
0.92 High Similarity NPC474119
0.9194 High Similarity NPC60885
0.9194 High Similarity NPC82483
0.9194 High Similarity NPC234400
0.9194 High Similarity NPC299584
0.9194 High Similarity NPC265483
0.9194 High Similarity NPC105925
0.9154 High Similarity NPC227503
0.9154 High Similarity NPC230734
0.9154 High Similarity NPC474639
0.9154 High Similarity NPC302701
0.9154 High Similarity NPC270456
0.9154 High Similarity NPC162659
0.9154 High Similarity NPC472336
0.9154 High Similarity NPC269091
0.9154 High Similarity NPC306441
0.9154 High Similarity NPC265433
0.9154 High Similarity NPC16435
0.9154 High Similarity NPC248727
0.9154 High Similarity NPC472334
0.9147 High Similarity NPC170694
0.9147 High Similarity NPC310854
0.9141 High Similarity NPC253105
0.9141 High Similarity NPC201587
0.9134 High Similarity NPC299221
0.9134 High Similarity NPC214860
0.9134 High Similarity NPC51840
0.9134 High Similarity NPC469612
0.9134 High Similarity NPC126836
0.9134 High Similarity NPC234488
0.9134 High Similarity NPC469614
0.9134 High Similarity NPC311680
0.9127 High Similarity NPC154866
0.9127 High Similarity NPC28765
0.9113 High Similarity NPC206487
0.9113 High Similarity NPC5796
0.9098 High Similarity NPC472596
0.9098 High Similarity NPC166759
0.9091 High Similarity NPC266197
0.9091 High Similarity NPC291101
0.9084 High Similarity NPC211549
0.9084 High Similarity NPC176051
0.9084 High Similarity NPC474390
0.9084 High Similarity NPC102904
0.9084 High Similarity NPC276490
0.9084 High Similarity NPC107551
0.9084 High Similarity NPC326797
0.9084 High Similarity NPC103976
0.9084 High Similarity NPC474282
0.9083 High Similarity NPC86947
0.9077 High Similarity NPC472337
0.9077 High Similarity NPC234333
0.9077 High Similarity NPC47398
0.9077 High Similarity NPC164787
0.9077 High Similarity NPC151224
0.9077 High Similarity NPC61946
0.9077 High Similarity NPC260898
0.907 High Similarity NPC11060
0.907 High Similarity NPC36661
0.907 High Similarity NPC36490
0.907 High Similarity NPC158331
0.9062 High Similarity NPC469907
0.9062 High Similarity NPC474017
0.9055 High Similarity NPC10225
0.9055 High Similarity NPC45824
0.9055 High Similarity NPC58164
0.9055 High Similarity NPC212015
0.9048 High Similarity NPC183181
0.9048 High Similarity NPC292056
0.9048 High Similarity NPC236760
0.9048 High Similarity NPC266555
0.9048 High Similarity NPC147821
0.9048 High Similarity NPC319625
0.9048 High Similarity NPC41706
0.9048 High Similarity NPC111247
0.9048 High Similarity NPC163332
0.9048 High Similarity NPC252131
0.9048 High Similarity NPC118787
0.904 High Similarity NPC194519
0.9032 High Similarity NPC121115
0.9032 High Similarity NPC84086
0.9032 High Similarity NPC95168
0.9016 High Similarity NPC232084
0.9016 High Similarity NPC10932
0.9016 High Similarity NPC61516
0.9016 High Similarity NPC474565
0.9016 High Similarity NPC247364
0.9015 High Similarity NPC260741
0.9015 High Similarity NPC25966
0.9015 High Similarity NPC22517
0.9015 High Similarity NPC55947
0.9015 High Similarity NPC319647
0.9015 High Similarity NPC70682
0.9015 High Similarity NPC127218
0.9015 High Similarity NPC245207
0.9 High Similarity NPC106215
0.9 High Similarity NPC287745
0.8992 High Similarity NPC61477
0.8992 High Similarity NPC175067
0.8992 High Similarity NPC204215
0.8992 High Similarity NPC15658
0.8992 High Similarity NPC219876

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC470699 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
0.928 High Similarity NPD1529 Clinical (unspecified phase)
0.9206 High Similarity NPD3027 Phase 3
0.92 High Similarity NPD1530 Clinical (unspecified phase)
0.8992 High Similarity NPD1612 Clinical (unspecified phase)
0.8992 High Similarity NPD1613 Approved
0.8295 Intermediate Similarity NPD2982 Phase 2
0.8295 Intermediate Similarity NPD2983 Phase 2
0.8281 Intermediate Similarity NPD1610 Phase 2
0.8279 Intermediate Similarity NPD228 Approved
0.8258 Intermediate Similarity NPD4908 Phase 1
0.8254 Intermediate Similarity NPD1548 Phase 1
0.8217 Intermediate Similarity NPD2981 Phase 2
0.8182 Intermediate Similarity NPD3018 Phase 2
0.8148 Intermediate Similarity NPD1558 Phase 1
0.8145 Intermediate Similarity NPD5283 Phase 1
0.8134 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.806 Intermediate Similarity NPD4625 Phase 3
0.8027 Intermediate Similarity NPD1934 Approved
0.8015 Intermediate Similarity NPD4749 Approved
0.8015 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7973 Intermediate Similarity NPD2801 Approved
0.7972 Intermediate Similarity NPD1511 Approved
0.7967 Intermediate Similarity NPD3022 Approved
0.7967 Intermediate Similarity NPD3021 Approved
0.7867 Intermediate Similarity NPD3882 Suspended
0.7862 Intermediate Similarity NPD1512 Approved
0.7852 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD7843 Approved
0.7778 Intermediate Similarity NPD2861 Phase 2
0.7755 Intermediate Similarity NPD1653 Approved
0.775 Intermediate Similarity NPD1242 Phase 1
0.7748 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7742 Intermediate Similarity NPD2684 Approved
0.7737 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7737 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7734 Intermediate Similarity NPD6671 Approved
0.7734 Intermediate Similarity NPD7157 Approved
0.7727 Intermediate Similarity NPD422 Phase 1
0.7664 Intermediate Similarity NPD7095 Approved
0.7651 Intermediate Similarity NPD4678 Approved
0.7651 Intermediate Similarity NPD4675 Approved
0.7628 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7628 Intermediate Similarity NPD6166 Phase 2
0.7628 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7626 Intermediate Similarity NPD4060 Phase 1
0.7586 Intermediate Similarity NPD5307 Clinical (unspecified phase)
0.7552 Intermediate Similarity NPD3540 Phase 1
0.7547 Intermediate Similarity NPD7074 Phase 3
0.7534 Intermediate Similarity NPD7124 Phase 2
0.7532 Intermediate Similarity NPD6234 Discontinued
0.7532 Intermediate Similarity NPD3818 Discontinued
0.75 Intermediate Similarity NPD3620 Phase 2
0.75 Intermediate Similarity NPD1465 Phase 2
0.75 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7484 Intermediate Similarity NPD7054 Approved
0.7483 Intermediate Similarity NPD6100 Approved
0.7483 Intermediate Similarity NPD6099 Approved
0.7483 Intermediate Similarity NPD3539 Phase 1
0.7483 Intermediate Similarity NPD4357 Discontinued
0.7481 Intermediate Similarity NPD5536 Phase 2
0.7467 Intermediate Similarity NPD6055 Clinical (unspecified phase)
0.7464 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.7463 Intermediate Similarity NPD3705 Approved
0.7463 Intermediate Similarity NPD1091 Approved
0.7451 Intermediate Similarity NPD6374 Clinical (unspecified phase)
0.7451 Intermediate Similarity NPD3817 Phase 2
0.7445 Intermediate Similarity NPD6584 Phase 3
0.7445 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7444 Intermediate Similarity NPD6516 Phase 2
0.7444 Intermediate Similarity NPD5846 Approved
0.744 Intermediate Similarity NPD968 Approved
0.7438 Intermediate Similarity NPD7472 Approved
0.7436 Intermediate Similarity NPD7199 Phase 2
0.7432 Intermediate Similarity NPD7447 Phase 1
0.7431 Intermediate Similarity NPD7266 Discontinued
0.7426 Intermediate Similarity NPD8651 Approved
0.7398 Intermediate Similarity NPD940 Approved
0.7398 Intermediate Similarity NPD846 Approved
0.7397 Intermediate Similarity NPD3750 Approved
0.7365 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7364 Intermediate Similarity NPD5535 Approved
0.7353 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7351 Intermediate Similarity NPD4005 Discontinued
0.7343 Intermediate Similarity NPD4536 Approved
0.7343 Intermediate Similarity NPD4537 Clinical (unspecified phase)
0.7343 Intermediate Similarity NPD6111 Discontinued
0.7343 Intermediate Similarity NPD4538 Approved
0.7342 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7329 Intermediate Similarity NPD6674 Discontinued
0.7329 Intermediate Similarity NPD3060 Approved
0.7329 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.732 Intermediate Similarity NPD37 Approved
0.7317 Intermediate Similarity NPD8053 Approved
0.7317 Intermediate Similarity NPD8054 Approved
0.7315 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7315 Intermediate Similarity NPD4123 Phase 3
0.7312 Intermediate Similarity NPD7228 Approved
0.731 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.731 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7305 Intermediate Similarity NPD2674 Phase 3
0.7292 Intermediate Similarity NPD5960 Phase 3
0.7292 Intermediate Similarity NPD5588 Approved
0.729 Intermediate Similarity NPD4966 Approved
0.729 Intermediate Similarity NPD4965 Approved
0.729 Intermediate Similarity NPD4967 Phase 2
0.7279 Intermediate Similarity NPD1608 Approved
0.7279 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7279 Intermediate Similarity NPD3892 Phase 2
0.7273 Intermediate Similarity NPD2860 Approved
0.7273 Intermediate Similarity NPD2859 Approved
0.7267 Intermediate Similarity NPD5261 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.7266 Intermediate Similarity NPD4750 Phase 3
0.726 Intermediate Similarity NPD1549 Phase 2
0.7254 Intermediate Similarity NPD943 Approved
0.7248 Intermediate Similarity NPD7212 Phase 2
0.7248 Intermediate Similarity NPD7213 Phase 3
0.7244 Intermediate Similarity NPD7075 Discontinued
0.7244 Intermediate Similarity NPD290 Approved
0.7244 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.7239 Intermediate Similarity NPD1357 Approved
0.7239 Intermediate Similarity NPD7251 Discontinued
0.7236 Intermediate Similarity NPD3020 Approved
0.723 Intermediate Similarity NPD2219 Phase 1
0.7226 Intermediate Similarity NPD6583 Phase 3
0.7226 Intermediate Similarity NPD6582 Phase 2
0.7219 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7211 Intermediate Similarity NPD4162 Approved
0.7211 Intermediate Similarity NPD4237 Approved
0.7211 Intermediate Similarity NPD4236 Phase 3
0.7203 Intermediate Similarity NPD4340 Discontinued
0.7203 Intermediate Similarity NPD6355 Discontinued
0.7203 Intermediate Similarity NPD5735 Approved
0.7203 Intermediate Similarity NPD230 Phase 1
0.7195 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7195 Intermediate Similarity NPD7808 Phase 3
0.7192 Intermediate Similarity NPD2029 Clinical (unspecified phase)
0.7192 Intermediate Similarity NPD1375 Discontinued
0.719 Intermediate Similarity NPD2933 Approved
0.719 Intermediate Similarity NPD4380 Phase 2
0.719 Intermediate Similarity NPD2934 Approved
0.7178 Intermediate Similarity NPD6797 Phase 2
0.7178 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7174 Intermediate Similarity NPD6696 Suspended
0.7172 Intermediate Similarity NPD1510 Phase 2
0.717 Intermediate Similarity NPD6232 Discontinued
0.7162 Intermediate Similarity NPD4628 Phase 3
0.7162 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7162 Intermediate Similarity NPD4110 Phase 3
0.7162 Intermediate Similarity NPD6331 Phase 2
0.7161 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.716 Intermediate Similarity NPD5844 Phase 1
0.7143 Intermediate Similarity NPD7473 Discontinued
0.7134 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD1240 Approved
0.7133 Intermediate Similarity NPD6799 Approved
0.712 Intermediate Similarity NPD291 Approved
0.7114 Intermediate Similarity NPD6190 Approved
0.7113 Intermediate Similarity NPD5110 Phase 2
0.7113 Intermediate Similarity NPD5111 Phase 2
0.7113 Intermediate Similarity NPD5109 Approved
0.7113 Intermediate Similarity NPD6798 Discontinued
0.7113 Intermediate Similarity NPD3145 Approved
0.7113 Intermediate Similarity NPD3144 Approved
0.7095 Intermediate Similarity NPD1652 Phase 2
0.7086 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD5124 Phase 1
0.708 Intermediate Similarity NPD1535 Discovery
0.7075 Intermediate Similarity NPD5763 Approved
0.7075 Intermediate Similarity NPD5762 Approved
0.7067 Intermediate Similarity NPD5058 Phase 3
0.7063 Intermediate Similarity NPD6233 Phase 2
0.7063 Intermediate Similarity NPD1726 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD17 Approved
0.7055 Intermediate Similarity NPD6028 Clinical (unspecified phase)
0.7055 Intermediate Similarity NPD6029 Clinical (unspecified phase)
0.7055 Intermediate Similarity NPD3748 Approved
0.7051 Intermediate Similarity NPD7819 Suspended
0.705 Intermediate Similarity NPD3225 Approved
0.7049 Intermediate Similarity NPD9296 Approved
0.7047 Intermediate Similarity NPD6658 Clinical (unspecified phase)
0.7044 Intermediate Similarity NPD5494 Approved
0.7034 Intermediate Similarity NPD1607 Approved
0.7032 Intermediate Similarity NPD6072 Discontinued
0.7029 Intermediate Similarity NPD1481 Phase 2
0.7029 Intermediate Similarity NPD2235 Phase 2
0.7029 Intermediate Similarity NPD2231 Phase 2
0.7025 Intermediate Similarity NPD4055 Discovery
0.7021 Intermediate Similarity NPD9494 Approved
0.7014 Intermediate Similarity NPD5837 Clinical (unspecified phase)
0.7013 Intermediate Similarity NPD7261 Clinical (unspecified phase)
0.7007 Intermediate Similarity NPD2796 Approved
0.7007 Intermediate Similarity NPD2161 Phase 2
0.7007 Intermediate Similarity NPD1551 Phase 2
0.7006 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD2797 Approved
0.7 Intermediate Similarity NPD2677 Approved
0.7 Intermediate Similarity NPD5451 Approved

Structure

External Identifiers

PubChem CID   44419746
ChEMBL   CHEMBL218715
ZINC  

Physicochemical Properties

Molecular Weight:  410.25
ALogP:  -2.7352
MLogP:  3.88
XLogP:  8.413
# Rotatable Bonds:  3
Polar Surface Area:  69.92
# H-Bond Aceptor:  0
# H-Bond Donor:  3
# Rings:  2
# Heavy Atoms:  30

Download Data

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