Natural Product: NPC83693

Natural Product ID:  NPC83693
Common Name:   Euscaphic Acid B
IUPAC Name:  
Synonyms:  
Molecular Formula:   C30H46O5
Standard InCHIKey:  PDPWDXDUMOJUCT-UWQOUJQISA-N
Standard InCHI:  InChI=1S/C30H46O5/c1-18-6-12-28(23(33)34)14-15-30-16-29(30,22(28)27(18,5)35)13-8-20-24(2)10-9-21(32)25(3,17-31)19(24)7-11-26(20,30)4/h8,13,18-22,31-32,35H,6-7,9-12,14-17H2,1-5H3,(H,33,34)/t18-,19-,20-,21+,22-,24+,25+,26-,27-,28+,29-,30-/m1/s1
Canonical SMILES:  OC[C@]1(C)[C@@H](O)CC[C@]2([C@H]1CC[C@@]1([C@@H]2C=C[C@@]23[C@]1(CC[C@@]1([C@H]3[C@](C)(O)[C@@H](CC1)C)C(=O)O)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
NPO3595 Euscaphis japonica Species Staphyleaceae Eukaryota Twigs Yangming mountain, Taiwan 2008-APR PMID[20873721]
NPO3595 Euscaphis japonica Species Staphyleaceae Eukaryota Twigs DOI[10.1021/np1003593]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT83 Cell Line MCF7 Homo sapiens Activity = 84 % 20873721
NPT397 Cell Line NCI-H460 Homo sapiens Activity = 99 % 20873721
NPT139 Cell Line HT-29 Homo sapiens Activity = 93 % 20873721
NPT404 Cell Line CCRF-CEM Homo sapiens Activity = 80 % 20873721

  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 NPC83693 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
0.9886 High Similarity NPC60692
0.956 High Similarity NPC203343
0.956 High Similarity NPC312075
0.9444 High Similarity NPC114159
0.9444 High Similarity NPC191412
0.9444 High Similarity NPC6818
0.9341 High Similarity NPC290481
0.9333 High Similarity NPC118490
0.9333 High Similarity NPC158059
0.9333 High Similarity NPC118519
0.9333 High Similarity NPC202728
0.9333 High Similarity NPC229281
0.9326 High Similarity NPC273621
0.9326 High Similarity NPC18872
0.9326 High Similarity NPC120968
0.9326 High Similarity NPC130278
0.9326 High Similarity NPC210037
0.9326 High Similarity NPC227467
0.9326 High Similarity NPC290614
0.9326 High Similarity NPC477872
0.9326 High Similarity NPC7260
0.9239 High Similarity NPC132824
0.9239 High Similarity NPC116457
0.9231 High Similarity NPC188102
0.9222 High Similarity NPC187722
0.9222 High Similarity NPC105189
0.9213 High Similarity NPC130520
0.9213 High Similarity NPC121798
0.9213 High Similarity NPC263393
0.9213 High Similarity NPC61543
0.9213 High Similarity NPC270768
0.9213 High Similarity NPC59263
0.9213 High Similarity NPC225585
0.9213 High Similarity NPC234346
0.9213 High Similarity NPC290972
0.9213 High Similarity NPC25906
0.9213 High Similarity NPC127689
0.9213 High Similarity NPC293048
0.9213 High Similarity NPC64872
0.914 High Similarity NPC247139
0.914 High Similarity NPC9613
0.913 High Similarity NPC198245
0.9111 High Similarity NPC470589
0.9111 High Similarity NPC111110
0.9111 High Similarity NPC126369
0.9111 High Similarity NPC193750
0.9111 High Similarity NPC291028
0.9101 High Similarity NPC182797
0.9101 High Similarity NPC52169
0.9043 High Similarity NPC174663
0.9032 High Similarity NPC207922
0.9032 High Similarity NPC73004
0.9032 High Similarity NPC62516
0.9032 High Similarity NPC173744
0.9032 High Similarity NPC327179
0.9032 High Similarity NPC259733
0.9032 High Similarity NPC158371
0.9032 High Similarity NPC204961
0.9032 High Similarity NPC157113
0.9022 High Similarity NPC282395
0.9022 High Similarity NPC32407
0.9022 High Similarity NPC263548
0.9022 High Similarity NPC231063
0.9022 High Similarity NPC299996
0.9022 High Similarity NPC145667
0.9022 High Similarity NPC88116
0.9022 High Similarity NPC20235
0.9011 High Similarity NPC282616
0.9011 High Similarity NPC288833
0.9011 High Similarity NPC155120
0.9011 High Similarity NPC324341
0.9011 High Similarity NPC966
0.9011 High Similarity NPC228784
0.9011 High Similarity NPC38754
0.9 High Similarity NPC274330
0.9 High Similarity NPC143232
0.9 High Similarity NPC198664
0.8989 High Similarity NPC68160
0.8989 High Similarity NPC293564
0.8989 High Similarity NPC307426
0.8989 High Similarity NPC171203
0.8989 High Similarity NPC142415
0.8989 High Similarity NPC102683
0.8989 High Similarity NPC88716
0.8989 High Similarity NPC242468
0.8989 High Similarity NPC51700
0.8989 High Similarity NPC18064
0.8989 High Similarity NPC130577
0.8989 High Similarity NPC98442
0.8947 High Similarity NPC35239
0.8936 High Similarity NPC255589
0.8936 High Similarity NPC106112
0.8936 High Similarity NPC259788
0.8936 High Similarity NPC261935
0.8936 High Similarity NPC187933
0.8925 High Similarity NPC96916
0.8913 High Similarity NPC275809
0.8913 High Similarity NPC86368
0.8901 High Similarity NPC86372
0.8901 High Similarity NPC172361
0.8889 High Similarity NPC470629
0.8889 High Similarity NPC474512
0.8889 High Similarity NPC17733
0.8889 High Similarity NPC40552
0.8889 High Similarity NPC181225
0.8889 High Similarity NPC246708
0.8889 High Similarity NPC290690
0.8889 High Similarity NPC473242
0.8876 High Similarity NPC72638
0.8854 High Similarity NPC235142
0.8854 High Similarity NPC118964
0.8854 High Similarity NPC256247
0.8842 High Similarity NPC164349
0.8842 High Similarity NPC111214
0.8842 High Similarity NPC271614
0.8842 High Similarity NPC29765
0.883 High Similarity NPC305464
0.883 High Similarity NPC307282
0.883 High Similarity NPC476318
0.883 High Similarity NPC201657
0.883 High Similarity NPC19376
0.883 High Similarity NPC25848
0.883 High Similarity NPC476327
0.8817 High Similarity NPC159365
0.8817 High Similarity NPC222047
0.8817 High Similarity NPC148964
0.8817 High Similarity NPC80365
0.8804 High Similarity NPC4036
0.8804 High Similarity NPC233455
0.8804 High Similarity NPC300351
0.8804 High Similarity NPC145067
0.8804 High Similarity NPC52021
0.8804 High Similarity NPC65120
0.8804 High Similarity NPC158030
0.8804 High Similarity NPC235884
0.8804 High Similarity NPC471588
0.8804 High Similarity NPC71074
0.8804 High Similarity NPC235704
0.8804 High Similarity NPC25299
0.8804 High Similarity NPC475708
0.8804 High Similarity NPC6255
0.8804 High Similarity NPC474525
0.8804 High Similarity NPC84319
0.8804 High Similarity NPC306541
0.8804 High Similarity NPC472149
0.8791 High Similarity NPC95246
0.8791 High Similarity NPC474972
0.8791 High Similarity NPC161751
0.8791 High Similarity NPC470588
0.8737 High Similarity NPC43686
0.8723 High Similarity NPC473240
0.8723 High Similarity NPC139570
0.8723 High Similarity NPC32118
0.8723 High Similarity NPC148523
0.871 High Similarity NPC474436
0.871 High Similarity NPC298554
0.871 High Similarity NPC63118
0.871 High Similarity NPC307335
0.871 High Similarity NPC214756
0.871 High Similarity NPC272075
0.871 High Similarity NPC49776
0.871 High Similarity NPC74855
0.871 High Similarity NPC295643
0.871 High Similarity NPC136313
0.8696 High Similarity NPC113989
0.8696 High Similarity NPC474728
0.8696 High Similarity NPC49320
0.8696 High Similarity NPC46441
0.8696 High Similarity NPC120840
0.8667 High Similarity NPC475862
0.8667 High Similarity NPC74363
0.8667 High Similarity NPC213412
0.8667 High Similarity NPC73038
0.866 High Similarity NPC54909
0.866 High Similarity NPC233012
0.8646 High Similarity NPC124703
0.8646 High Similarity NPC234617
0.8632 High Similarity NPC98874
0.8617 High Similarity NPC23621
0.8617 High Similarity NPC91010
0.8617 High Similarity NPC209868
0.8617 High Similarity NPC474529
0.8617 High Similarity NPC184006
0.8617 High Similarity NPC78580
0.8602 High Similarity NPC60755
0.8602 High Similarity NPC470590
0.8602 High Similarity NPC285184
0.8602 High Similarity NPC77099
0.8602 High Similarity NPC301244
0.8587 High Similarity NPC30522
0.8587 High Similarity NPC474686
0.8571 High Similarity NPC71507
0.8571 High Similarity NPC73064
0.8556 High Similarity NPC133954
0.8542 High Similarity NPC476879
0.8542 High Similarity NPC476878
0.8542 High Similarity NPC189880
0.8526 High Similarity NPC23241
0.8526 High Similarity NPC474727
0.8526 High Similarity NPC195715

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC83693 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
0.8804 High Similarity NPD7515 Phase 2
0.8542 High Similarity NPD7902 Approved
0.8421 Intermediate Similarity NPD7748 Approved
0.8229 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.8229 Intermediate Similarity NPD7900 Approved
0.7957 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7889 Intermediate Similarity NPD7645 Phase 2
0.7835 Intermediate Similarity NPD8035 Phase 2
0.7835 Intermediate Similarity NPD8034 Phase 2
0.7755 Intermediate Similarity NPD6399 Phase 3
0.7684 Intermediate Similarity NPD3618 Phase 1
0.7642 Intermediate Similarity NPD6899 Approved
0.7642 Intermediate Similarity NPD6881 Approved
0.7619 Intermediate Similarity NPD6675 Approved
0.7619 Intermediate Similarity NPD6402 Approved
0.7619 Intermediate Similarity NPD7128 Approved
0.7619 Intermediate Similarity NPD5739 Approved
0.7593 Intermediate Similarity NPD6649 Approved
0.7593 Intermediate Similarity NPD6650 Approved
0.757 Intermediate Similarity NPD6372 Approved
0.757 Intermediate Similarity NPD6373 Approved
0.7547 Intermediate Similarity NPD5697 Approved
0.75 Intermediate Similarity NPD7290 Approved
0.75 Intermediate Similarity NPD6883 Approved
0.75 Intermediate Similarity NPD7102 Approved
0.7477 Intermediate Similarity NPD7320 Approved
0.7476 Intermediate Similarity NPD5285 Approved
0.7476 Intermediate Similarity NPD5286 Approved
0.7476 Intermediate Similarity NPD4696 Approved
0.7475 Intermediate Similarity NPD6079 Approved
0.7474 Intermediate Similarity NPD4786 Approved
0.7451 Intermediate Similarity NPD4755 Approved
0.7449 Intermediate Similarity NPD5328 Approved
0.7447 Intermediate Similarity NPD3667 Approved
0.7431 Intermediate Similarity NPD6617 Approved
0.7431 Intermediate Similarity NPD6869 Approved
0.7431 Intermediate Similarity NPD6847 Approved
0.7431 Intermediate Similarity NPD8130 Phase 1
0.7419 Intermediate Similarity NPD7525 Registered
0.7411 Intermediate Similarity NPD7115 Discovery
0.7407 Intermediate Similarity NPD6012 Approved
0.7407 Intermediate Similarity NPD6013 Approved
0.7407 Intermediate Similarity NPD6014 Approved
0.74 Intermediate Similarity NPD4202 Approved
0.7383 Intermediate Similarity NPD5701 Approved
0.7364 Intermediate Similarity NPD6882 Approved
0.7364 Intermediate Similarity NPD8297 Approved
0.7333 Intermediate Similarity NPD5225 Approved
0.7333 Intermediate Similarity NPD5211 Phase 2
0.7333 Intermediate Similarity NPD4633 Approved
0.7333 Intermediate Similarity NPD5224 Approved
0.7333 Intermediate Similarity NPD5226 Approved
0.7315 Intermediate Similarity NPD6011 Approved
0.7308 Intermediate Similarity NPD4700 Approved
0.73 Intermediate Similarity NPD6411 Approved
0.7283 Intermediate Similarity NPD6116 Phase 1
0.7282 Intermediate Similarity NPD6083 Phase 2
0.7282 Intermediate Similarity NPD6084 Phase 2
0.7273 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7264 Intermediate Similarity NPD5174 Approved
0.7264 Intermediate Similarity NPD5175 Approved
0.7255 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7248 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7245 Intermediate Similarity NPD3573 Approved
0.7238 Intermediate Similarity NPD5223 Approved
0.7212 Intermediate Similarity NPD7638 Approved
0.7196 Intermediate Similarity NPD5141 Approved
0.7184 Intermediate Similarity NPD4697 Phase 3
0.7184 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7184 Intermediate Similarity NPD5221 Approved
0.7184 Intermediate Similarity NPD5222 Approved
0.7179 Intermediate Similarity NPD8328 Phase 3
0.7174 Intermediate Similarity NPD6117 Approved
0.7172 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD7640 Approved
0.7143 Intermediate Similarity NPD7639 Approved
0.7129 Intermediate Similarity NPD5284 Approved
0.7129 Intermediate Similarity NPD5281 Approved
0.7117 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD5173 Approved
0.7113 Intermediate Similarity NPD3133 Approved
0.7113 Intermediate Similarity NPD3665 Phase 1
0.7113 Intermediate Similarity NPD3666 Approved
0.7105 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.71 Intermediate Similarity NPD4753 Phase 2
0.71 Intermediate Similarity NPD6101 Approved
0.71 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7087 Intermediate Similarity NPD4629 Approved
0.7087 Intermediate Similarity NPD5210 Approved
0.7048 Intermediate Similarity NPD5696 Approved
0.7021 Intermediate Similarity NPD6115 Approved
0.7021 Intermediate Similarity NPD6114 Approved
0.7021 Intermediate Similarity NPD6697 Approved
0.7021 Intermediate Similarity NPD6118 Approved
0.7 Intermediate Similarity NPD4729 Approved
0.7 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD4730 Approved
0.6991 Remote Similarity NPD4632 Approved
0.6983 Remote Similarity NPD7101 Approved
0.6983 Remote Similarity NPD7100 Approved
0.6972 Remote Similarity NPD4768 Approved
0.6972 Remote Similarity NPD6008 Approved
0.6972 Remote Similarity NPD4767 Approved
0.697 Remote Similarity NPD5330 Approved
0.697 Remote Similarity NPD7146 Approved
0.697 Remote Similarity NPD7521 Approved
0.697 Remote Similarity NPD6409 Approved
0.697 Remote Similarity NPD6684 Approved
0.697 Remote Similarity NPD7334 Approved
0.697 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6957 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6944 Remote Similarity NPD4754 Approved
0.6939 Remote Similarity NPD3668 Phase 3
0.6937 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6923 Remote Similarity NPD5695 Phase 3
0.6897 Remote Similarity NPD6335 Approved
0.6891 Remote Similarity NPD7604 Phase 2
0.6875 Remote Similarity NPD5250 Approved
0.6875 Remote Similarity NPD5249 Phase 3
0.6875 Remote Similarity NPD5248 Approved
0.6875 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6875 Remote Similarity NPD4634 Approved
0.6875 Remote Similarity NPD5247 Approved
0.6875 Remote Similarity NPD5251 Approved
0.687 Remote Similarity NPD6274 Approved
0.6857 Remote Similarity NPD7614 Phase 1
0.6847 Remote Similarity NPD5128 Approved
0.6832 Remote Similarity NPD6903 Approved
0.6832 Remote Similarity NPD6672 Approved
0.6832 Remote Similarity NPD5737 Approved
0.6827 Remote Similarity NPD6001 Approved
0.6814 Remote Similarity NPD5215 Approved
0.6814 Remote Similarity NPD5217 Approved
0.6814 Remote Similarity NPD5216 Approved
0.681 Remote Similarity NPD6009 Approved
0.681 Remote Similarity NPD6317 Approved
0.6803 Remote Similarity NPD7736 Approved
0.678 Remote Similarity NPD6319 Approved
0.6757 Remote Similarity NPD6412 Phase 2
0.6752 Remote Similarity NPD6314 Approved
0.6752 Remote Similarity NPD6313 Approved
0.6735 Remote Similarity NPD4221 Approved
0.6735 Remote Similarity NPD4223 Phase 3
0.6731 Remote Similarity NPD5778 Approved
0.6731 Remote Similarity NPD5779 Approved
0.6729 Remote Similarity NPD4225 Approved
0.6726 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6726 Remote Similarity NPD5135 Approved
0.6726 Remote Similarity NPD5169 Approved
0.6724 Remote Similarity NPD6868 Approved
0.6723 Remote Similarity NPD6909 Approved
0.6723 Remote Similarity NPD6908 Approved
0.6723 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6702 Remote Similarity NPD7339 Approved
0.6702 Remote Similarity NPD6942 Approved
0.6701 Remote Similarity NPD5368 Approved
0.6701 Remote Similarity NPD4695 Discontinued
0.67 Remote Similarity NPD5329 Approved
0.6696 Remote Similarity NPD8133 Approved
0.6694 Remote Similarity NPD7492 Approved
0.6667 Remote Similarity NPD5127 Approved
0.6667 Remote Similarity NPD4788 Approved
0.6667 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6639 Remote Similarity NPD7507 Approved
0.6639 Remote Similarity NPD6616 Approved
0.6639 Remote Similarity NPD6054 Approved
0.6634 Remote Similarity NPD6098 Approved
0.6634 Remote Similarity NPD4623 Approved
0.6634 Remote Similarity NPD5279 Phase 3
0.6634 Remote Similarity NPD4519 Discontinued
0.6633 Remote Similarity NPD5369 Approved
0.6632 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6607 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6602 Remote Similarity NPD6673 Approved
0.6602 Remote Similarity NPD6904 Approved
0.6602 Remote Similarity NPD6080 Approved
0.66 Remote Similarity NPD4197 Approved
0.6585 Remote Similarity NPD7078 Approved
0.6583 Remote Similarity NPD5983 Phase 2
0.6566 Remote Similarity NPD6435 Approved
0.6559 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6559 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6549 Remote Similarity NPD6686 Approved
0.6549 Remote Similarity NPD5168 Approved
0.6545 Remote Similarity NPD7632 Discontinued
0.6542 Remote Similarity NPD7732 Phase 3
0.6535 Remote Similarity NPD1694 Approved
0.6531 Remote Similarity NPD4822 Approved
0.6531 Remote Similarity NPD4820 Approved
0.6531 Remote Similarity NPD4821 Approved
0.6531 Remote Similarity NPD4819 Approved
0.6529 Remote Similarity NPD6370 Approved
0.6522 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6522 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6504 Remote Similarity NPD6336 Discontinued
0.65 Remote Similarity NPD6059 Approved
0.6496 Remote Similarity NPD5167 Approved
0.648 Remote Similarity NPD7319 Approved
0.6471 Remote Similarity NPD5690 Phase 2
0.6471 Remote Similarity NPD4690 Approved

Structure

External Identifiers

PubChem CID   49831541
ChEMBL   CHEMBL1270257
ZINC  

Physicochemical Properties

Molecular Weight:  486.33
ALogP:  -0.339
MLogP:  4.21
XLogP:  6.323
# Rotatable Bonds:  11
Polar Surface Area:  97.99
# H-Bond Aceptor:  5
# H-Bond Donor:  4
# Rings:  6
# Heavy Atoms:  35

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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