Natural Product: NPC96160

Natural Product ID:  NPC96160
Common Name:   Echinamine A
IUPAC Name:  
Synonyms:  
Molecular Formula:   C12H11NO6
Standard InCHIKey:  DVAUTFWFMRZFOC-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C12H11NO6/c1-2-3-7(14)4-5(10(17)8(3)15)9(16)6(13)12(19)11(4)18/h14-15,17,19H,2,13H2,1H3
Canonical SMILES:  CCc1c(O)c2C(=O)C(=C(C(=O)c2c(c1O)O)N)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
NPO3125 Scaphechinus mirabilis Species Scutellidae Eukaryota PMID[16180820]
NPO18746 Chrysanthemum przewalskii Species Asteraceae Eukaryota UNPD*
NPO9760 Goniothalamus howii Species Annonaceae Eukaryota UNPD*
NPO16237 Sphaeria eunomia NA NA NA UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1 Others Radical scavenging activity EC50 = 10000 nM 16180820

  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 NPC96160 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
1.0 High Similarity NPC4331
0.8767 High Similarity NPC14377
0.8224 Intermediate Similarity NPC123714
0.8182 Intermediate Similarity NPC92079
0.8146 Intermediate Similarity NPC129752
0.8013 Intermediate Similarity NPC291078
0.7848 Intermediate Similarity NPC238629
0.7811 Intermediate Similarity NPC54661
0.7811 Intermediate Similarity NPC163924
0.7806 Intermediate Similarity NPC238108
0.7742 Intermediate Similarity NPC471690
0.7707 Intermediate Similarity NPC143438
0.7658 Intermediate Similarity NPC203063
0.7636 Intermediate Similarity NPC161778
0.7632 Intermediate Similarity NPC278928
0.7622 Intermediate Similarity NPC103509
0.7619 Intermediate Similarity NPC472046
0.7607 Intermediate Similarity NPC112816
0.7607 Intermediate Similarity NPC471907
0.7597 Intermediate Similarity NPC88864
0.759 Intermediate Similarity NPC273248
0.758 Intermediate Similarity NPC147418
0.756 Intermediate Similarity NPC283301
0.7547 Intermediate Similarity NPC187690
0.7544 Intermediate Similarity NPC29055
0.7544 Intermediate Similarity NPC173587
0.7544 Intermediate Similarity NPC208120
0.7532 Intermediate Similarity NPC416
0.7532 Intermediate Similarity NPC61398
0.7516 Intermediate Similarity NPC254847
0.7515 Intermediate Similarity NPC48949
0.7515 Intermediate Similarity NPC280295
0.75 Intermediate Similarity NPC110810
0.75 Intermediate Similarity NPC25850
0.75 Intermediate Similarity NPC21016
0.75 Intermediate Similarity NPC276815
0.75 Intermediate Similarity NPC324209
0.75 Intermediate Similarity NPC146584
0.7485 Intermediate Similarity NPC127172
0.7471 Intermediate Similarity NPC84571
0.7469 Intermediate Similarity NPC471906
0.7469 Intermediate Similarity NPC244691
0.7468 Intermediate Similarity NPC471452
0.7468 Intermediate Similarity NPC471905
0.7468 Intermediate Similarity NPC117609
0.7468 Intermediate Similarity NPC290030
0.7468 Intermediate Similarity NPC53206
0.7468 Intermediate Similarity NPC53414
0.7455 Intermediate Similarity NPC134293
0.7453 Intermediate Similarity NPC314271
0.7452 Intermediate Similarity NPC258502
0.7451 Intermediate Similarity NPC179898
0.744 Intermediate Similarity NPC234485
0.744 Intermediate Similarity NPC472048
0.7436 Intermediate Similarity NPC267205
0.7436 Intermediate Similarity NPC193169
0.7434 Intermediate Similarity NPC472047
0.7434 Intermediate Similarity NPC1991
0.7427 Intermediate Similarity NPC101207
0.7427 Intermediate Similarity NPC311740
0.7425 Intermediate Similarity NPC20337
0.7423 Intermediate Similarity NPC28632
0.7421 Intermediate Similarity NPC230811
0.7414 Intermediate Similarity NPC232936
0.7407 Intermediate Similarity NPC143898
0.7405 Intermediate Similarity NPC194764
0.7405 Intermediate Similarity NPC65005
0.7405 Intermediate Similarity NPC264112
0.7405 Intermediate Similarity NPC223836
0.7391 Intermediate Similarity NPC187843
0.7386 Intermediate Similarity NPC83572
0.7384 Intermediate Similarity NPC314693
0.7381 Intermediate Similarity NPC312482
0.7381 Intermediate Similarity NPC107109
0.7378 Intermediate Similarity NPC136878
0.7378 Intermediate Similarity NPC476535
0.7375 Intermediate Similarity NPC242994
0.7375 Intermediate Similarity NPC190457
0.7375 Intermediate Similarity NPC472903
0.7375 Intermediate Similarity NPC138099
0.7372 Intermediate Similarity NPC135801
0.7371 Intermediate Similarity NPC213416
0.7368 Intermediate Similarity NPC119224
0.7358 Intermediate Similarity NPC170742
0.7355 Intermediate Similarity NPC233056
0.7355 Intermediate Similarity NPC296158
0.7342 Intermediate Similarity NPC290803
0.7341 Intermediate Similarity NPC101769
0.7341 Intermediate Similarity NPC475055
0.7333 Intermediate Similarity NPC251188
0.7333 Intermediate Similarity NPC476821
0.7329 Intermediate Similarity NPC181560
0.7329 Intermediate Similarity NPC169452
0.7326 Intermediate Similarity NPC65746
0.7325 Intermediate Similarity NPC48036
0.7317 Intermediate Similarity NPC471689
0.7312 Intermediate Similarity NPC175552
0.731 Intermediate Similarity NPC477410
0.731 Intermediate Similarity NPC45846
0.7308 Intermediate Similarity NPC34070
0.7308 Intermediate Similarity NPC469526
0.7305 Intermediate Similarity NPC474191
0.7303 Intermediate Similarity NPC245975
0.7296 Intermediate Similarity NPC86524
0.7296 Intermediate Similarity NPC315275
0.7296 Intermediate Similarity NPC191976
0.7294 Intermediate Similarity NPC142339
0.7294 Intermediate Similarity NPC77807
0.7294 Intermediate Similarity NPC5379
0.7294 Intermediate Similarity NPC14561
0.7284 Intermediate Similarity NPC472904
0.7284 Intermediate Similarity NPC246638
0.7284 Intermediate Similarity NPC283292
0.7284 Intermediate Similarity NPC305845
0.7284 Intermediate Similarity NPC204045
0.7284 Intermediate Similarity NPC290550
0.7283 Intermediate Similarity NPC294965
0.7283 Intermediate Similarity NPC470694
0.7278 Intermediate Similarity NPC166480
0.7278 Intermediate Similarity NPC282780
0.7278 Intermediate Similarity NPC44437
0.7278 Intermediate Similarity NPC474519
0.7278 Intermediate Similarity NPC477048
0.7278 Intermediate Similarity NPC475645
0.7278 Intermediate Similarity NPC477047
0.7267 Intermediate Similarity NPC471819
0.7262 Intermediate Similarity NPC35
0.7262 Intermediate Similarity NPC202157
0.7261 Intermediate Similarity NPC478190
0.7256 Intermediate Similarity NPC475813
0.7251 Intermediate Similarity NPC178976
0.7251 Intermediate Similarity NPC199463
0.7251 Intermediate Similarity NPC179732
0.7251 Intermediate Similarity NPC37543
0.7251 Intermediate Similarity NPC236796
0.7244 Intermediate Similarity NPC62219
0.7244 Intermediate Similarity NPC26697
0.7241 Intermediate Similarity NPC236132
0.7241 Intermediate Similarity NPC476822
0.7241 Intermediate Similarity NPC207690
0.7241 Intermediate Similarity NPC270837
0.7239 Intermediate Similarity NPC193555
0.7239 Intermediate Similarity NPC135524
0.7239 Intermediate Similarity NPC474961
0.7233 Intermediate Similarity NPC161632
0.7229 Intermediate Similarity NPC10842
0.7225 Intermediate Similarity NPC278427
0.7219 Intermediate Similarity NPC313453
0.7219 Intermediate Similarity NPC149889
0.7219 Intermediate Similarity NPC312338
0.7216 Intermediate Similarity NPC107009
0.7215 Intermediate Similarity NPC4170
0.7215 Intermediate Similarity NPC294226
0.7215 Intermediate Similarity NPC37299
0.7215 Intermediate Similarity NPC180261
0.7209 Intermediate Similarity NPC100123
0.7209 Intermediate Similarity NPC245891
0.7209 Intermediate Similarity NPC104876
0.7208 Intermediate Similarity NPC231774
0.7205 Intermediate Similarity NPC206207
0.7205 Intermediate Similarity NPC141368
0.7202 Intermediate Similarity NPC294646
0.7202 Intermediate Similarity NPC476532
0.72 Intermediate Similarity NPC26386
0.72 Intermediate Similarity NPC102372
0.7195 Intermediate Similarity NPC469885
0.7193 Intermediate Similarity NPC470762
0.7193 Intermediate Similarity NPC475799
0.7193 Intermediate Similarity NPC13779
0.7193 Intermediate Similarity NPC474167
0.7188 Intermediate Similarity NPC118919
0.7186 Intermediate Similarity NPC470479
0.7176 Intermediate Similarity NPC93552
0.7176 Intermediate Similarity NPC89474
0.7175 Intermediate Similarity NPC163130
0.7175 Intermediate Similarity NPC165979
0.7171 Intermediate Similarity NPC66252
0.7168 Intermediate Similarity NPC14353
0.7168 Intermediate Similarity NPC80375
0.7168 Intermediate Similarity NPC155302
0.7168 Intermediate Similarity NPC228785
0.7168 Intermediate Similarity NPC45146
0.7168 Intermediate Similarity NPC320359
0.7168 Intermediate Similarity NPC235018
0.7168 Intermediate Similarity NPC56085
0.7168 Intermediate Similarity NPC161947
0.7159 Intermediate Similarity NPC37870
0.7152 Intermediate Similarity NPC29932
0.7152 Intermediate Similarity NPC17843
0.7152 Intermediate Similarity NPC229649
0.7152 Intermediate Similarity NPC48762
0.7152 Intermediate Similarity NPC309430
0.7152 Intermediate Similarity NPC193703
0.7152 Intermediate Similarity NPC10764
0.7152 Intermediate Similarity NPC21599
0.7151 Intermediate Similarity NPC273843
0.7143 Intermediate Similarity NPC245058
0.7143 Intermediate Similarity NPC53001
0.7143 Intermediate Similarity NPC477454
0.7135 Intermediate Similarity NPC28042

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC96160 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
0.7628 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7516 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7372 Intermediate Similarity NPD943 Approved
0.7091 Intermediate Similarity NPD3300 Phase 2
0.7048 Intermediate Similarity NPD7390 Discontinued
0.6905 Remote Similarity NPD2532 Approved
0.6905 Remote Similarity NPD2534 Approved
0.6905 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6905 Remote Similarity NPD2533 Approved
0.6893 Remote Similarity NPD6232 Discontinued
0.6872 Remote Similarity NPD7473 Discontinued
0.6868 Remote Similarity NPD5027 Approved
0.6868 Remote Similarity NPD5031 Approved
0.6868 Remote Similarity NPD5029 Approved
0.6864 Remote Similarity NPD1512 Approved
0.6862 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6862 Remote Similarity NPD6212 Phase 3
0.6862 Remote Similarity NPD6213 Phase 3
0.6831 Remote Similarity NPD5032 Approved
0.6825 Remote Similarity NPD6534 Approved
0.6825 Remote Similarity NPD6535 Approved
0.6809 Remote Similarity NPD5968 Phase 3
0.6807 Remote Similarity NPD2800 Approved
0.6782 Remote Similarity NPD2801 Approved
0.6782 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6774 Remote Similarity NPD5038 Approved
0.6774 Remote Similarity NPD5037 Approved
0.6746 Remote Similarity NPD1511 Approved
0.6739 Remote Similarity NPD5028 Approved
0.6739 Remote Similarity NPD5034 Approved
0.6739 Remote Similarity NPD5026 Approved
0.6739 Remote Similarity NPD4954 Approved
0.6739 Remote Similarity NPD36 Approved
0.6739 Remote Similarity NPD4955 Approved
0.6731 Remote Similarity NPD9269 Phase 2
0.672 Remote Similarity NPD5036 Approved
0.6719 Remote Similarity NPD7700 Phase 2
0.6719 Remote Similarity NPD7699 Phase 2
0.6709 Remote Similarity NPD1470 Approved
0.6704 Remote Similarity NPD5710 Approved
0.6704 Remote Similarity NPD5711 Approved
0.6703 Remote Similarity NPD5035 Approved
0.6685 Remote Similarity NPD5030 Phase 2
0.6684 Remote Similarity NPD8150 Discontinued
0.6667 Remote Similarity NPD3299 Clinical (unspecified phase)
0.6649 Remote Similarity NPD6782 Approved
0.6649 Remote Similarity NPD6778 Approved
0.6649 Remote Similarity NPD6777 Approved
0.6649 Remote Similarity NPD6781 Approved
0.6649 Remote Similarity NPD6780 Approved
0.6649 Remote Similarity NPD6776 Approved
0.6649 Remote Similarity NPD6779 Approved
0.6646 Remote Similarity NPD6651 Approved
0.6629 Remote Similarity NPD1934 Approved
0.661 Remote Similarity NPD3882 Suspended
0.6593 Remote Similarity NPD5033 Approved
0.6585 Remote Similarity NPD230 Phase 1
0.6562 Remote Similarity NPD258 Approved
0.6562 Remote Similarity NPD257 Approved
0.6561 Remote Similarity NPD1201 Approved
0.6548 Remote Similarity NPD970 Clinical (unspecified phase)
0.6527 Remote Similarity NPD5406 Approved
0.6527 Remote Similarity NPD5408 Approved
0.6527 Remote Similarity NPD5404 Approved
0.6527 Remote Similarity NPD5405 Approved
0.6527 Remote Similarity NPD9570 Approved
0.6512 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6505 Remote Similarity NPD5039 Approved
0.6495 Remote Similarity NPD7282 Approved
0.6494 Remote Similarity NPD405 Clinical (unspecified phase)
0.648 Remote Similarity NPD7501 Clinical (unspecified phase)
0.6474 Remote Similarity NPD9268 Approved
0.6465 Remote Similarity NPD7698 Approved
0.6465 Remote Similarity NPD7697 Approved
0.6465 Remote Similarity NPD7696 Phase 3
0.6464 Remote Similarity NPD6959 Discontinued
0.6448 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6448 Remote Similarity NPD6166 Phase 2
0.6448 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6446 Remote Similarity NPD1607 Approved
0.6445 Remote Similarity NPD8469 Approved
0.644 Remote Similarity NPD6836 Approved
0.6432 Remote Similarity NPD6020 Phase 2
0.6432 Remote Similarity NPD7871 Phase 2
0.6432 Remote Similarity NPD7870 Phase 2
0.6404 Remote Similarity NPD1465 Phase 2
0.6398 Remote Similarity NPD4956 Approved
0.6382 Remote Similarity NPD7435 Discontinued
0.6378 Remote Similarity NPD4975 Approved
0.6378 Remote Similarity NPD4974 Approved
0.6374 Remote Similarity NPD1247 Approved
0.6364 Remote Similarity NPD8366 Approved
0.6345 Remote Similarity NPD5609 Approved
0.6345 Remote Similarity NPD5608 Approved
0.6344 Remote Similarity NPD5844 Phase 1
0.6337 Remote Similarity NPD7300 Phase 3
0.6337 Remote Similarity NPD7302 Phase 3
0.6325 Remote Similarity NPD826 Approved
0.6325 Remote Similarity NPD1240 Approved
0.6325 Remote Similarity NPD825 Approved
0.6324 Remote Similarity NPD7801 Approved
0.6319 Remote Similarity NPD5494 Approved
0.6319 Remote Similarity NPD9569 Approved
0.6296 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6296 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6289 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6287 Remote Similarity NPD274 Approved
0.6287 Remote Similarity NPD275 Approved
0.6287 Remote Similarity NPD6973 Clinical (unspecified phase)
0.6286 Remote Similarity NPD7907 Approved
0.6278 Remote Similarity NPD3817 Phase 2
0.6272 Remote Similarity NPD1510 Phase 2
0.6269 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6268 Remote Similarity NPD2899 Discontinued
0.6268 Remote Similarity NPD4665 Approved
0.6268 Remote Similarity NPD4111 Phase 1
0.6265 Remote Similarity NPD259 Phase 1
0.6263 Remote Similarity NPD3534 Clinical (unspecified phase)
0.6256 Remote Similarity NPD7701 Phase 2
0.625 Remote Similarity NPD4387 Approved
0.625 Remote Similarity NPD4386 Approved
0.6244 Remote Similarity NPD8491 Approved
0.6244 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6244 Remote Similarity NPD7783 Phase 2
0.6242 Remote Similarity NPD9536 Phase 1
0.6242 Remote Similarity NPD9537 Phase 1
0.6238 Remote Similarity NPD7211 Clinical (unspecified phase)
0.6236 Remote Similarity NPD4380 Phase 2
0.6235 Remote Similarity NPD2935 Discontinued
0.6231 Remote Similarity NPD4914 Approved
0.6225 Remote Similarity NPD8151 Discontinued
0.6222 Remote Similarity NPD7819 Suspended
0.6218 Remote Similarity NPD6835 Approved
0.6209 Remote Similarity NPD7075 Discontinued
0.6209 Remote Similarity NPD8155 Clinical (unspecified phase)
0.6207 Remote Similarity NPD7584 Approved
0.6203 Remote Similarity NPD3818 Discontinued
0.6195 Remote Similarity NPD7874 Approved
0.6195 Remote Similarity NPD7875 Clinical (unspecified phase)
0.619 Remote Similarity NPD555 Phase 2
0.619 Remote Similarity NPD6797 Phase 2
0.6188 Remote Similarity NPD8320 Phase 1
0.6188 Remote Similarity NPD8319 Approved
0.6181 Remote Similarity NPD5544 Approved
0.618 Remote Similarity NPD3226 Approved
0.618 Remote Similarity NPD3455 Phase 2
0.617 Remote Similarity NPD1221 Approved
0.6169 Remote Similarity NPD6823 Phase 2
0.6158 Remote Similarity NPD6807 Phase 3
0.6158 Remote Similarity NPD7251 Discontinued
0.6154 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6154 Remote Similarity NPD7283 Approved
0.6145 Remote Similarity NPD6599 Discontinued
0.6138 Remote Similarity NPD5190 Phase 2
0.6138 Remote Similarity NPD7074 Phase 3
0.6136 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6135 Remote Similarity NPD7301 Phase 3
0.6133 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6129 Remote Similarity NPD8067 Phase 3
0.6119 Remote Similarity NPD2494 Approved
0.6119 Remote Similarity NPD2493 Approved
0.6105 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6105 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6105 Remote Similarity NPD2346 Discontinued
0.6098 Remote Similarity NPD1164 Approved
0.6087 Remote Similarity NPD919 Approved
0.6085 Remote Similarity NPD7054 Approved
0.6085 Remote Similarity NPD4603 Phase 2
0.608 Remote Similarity NPD5195 Discontinued
0.6077 Remote Similarity NPD6801 Discontinued
0.6073 Remote Similarity NPD7922 Phase 1
0.6069 Remote Similarity NPD1549 Phase 2
0.6062 Remote Similarity NPD4196 Clinical (unspecified phase)
0.6053 Remote Similarity NPD7472 Approved
0.6043 Remote Similarity NPD3926 Phase 2
0.6042 Remote Similarity NPD7808 Phase 3
0.604 Remote Similarity NPD3450 Approved
0.604 Remote Similarity NPD3452 Approved
0.6029 Remote Similarity NPD4583 Approved
0.6029 Remote Similarity NPD4582 Approved
0.6027 Remote Similarity NPD1483 Discontinued
0.6021 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6012 Remote Similarity NPD1699 Clinical (unspecified phase)
0.6011 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6011 Remote Similarity NPD1220 Phase 1
0.601 Remote Similarity NPD2491 Approved
0.601 Remote Similarity NPD5610 Approved
0.6 Remote Similarity NPD5543 Approved
0.6 Remote Similarity NPD3400 Discontinued
0.6 Remote Similarity NPD4388 Approved
0.6 Remote Similarity NPD3750 Approved
0.6 Remote Similarity NPD7804 Clinical (unspecified phase)
0.599 Remote Similarity NPD2490 Approved
0.599 Remote Similarity NPD2488 Approved
0.5989 Remote Similarity NPD6799 Approved
0.598 Remote Similarity NPD4004 Approved
0.598 Remote Similarity NPD4002 Approved
0.5976 Remote Similarity NPD182 Clinical (unspecified phase)
0.5976 Remote Similarity NPD9622 Approved
0.597 Remote Similarity NPD5194 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL504599
ZINC  

Physicochemical Properties

Molecular Weight:  265.06
ALogP:  -2.8936
MLogP:  2.01
XLogP:  0.473
# Rotatable Bonds:  7
Polar Surface Area:  141.08
# H-Bond Aceptor:  4
# H-Bond Donor:  5
# Rings:  2
# Heavy Atoms:  19

Download Data

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