Natural Product: NPC475638

Natural Product ID:  NPC475638
Common Name:   Kraussianin
IUPAC Name:  
Synonyms:   NSC-363005
Molecular Formula:   C37H50O10
Standard InCHIKey:  MIQXWLWKVCOSDG-VKGWLFBNSA-N
Standard InCHI:  InChI=1S/C37H50O10/c1-19(2)33-17-21(4)36-26-29(33)45-37(46-33,47-36)24(39)16-12-7-6-9-13-20(3)25-22(5)28(43-31(40)23-14-10-8-11-15-23)35(42,27(25)36)32(41)34(18-38)30(26)44-34/h8,10-11,14-15,20-22,24-30,32,38-39,41-42H,1,6-7,9,12-13,16-18H2,2-5H3/t20-,21-,22+,24-,25+,26-,27-,28+,29-,30+,32-,33+,34+,35-,36-,37?/m1/s1
Canonical SMILES:  OC[C@]12O[C@H]1[C@H]1[C@H]3OC45O[C@]1([C@H]1[C@@]([C@@H]2O)(O)[C@@H](OC(=O)c2ccccc2)[C@H]([C@@H]1[C@H](C)CCCCCC[C@H]5O)C)[C@@H](C[C@]3(O4)C(=C)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
NPO33393 pimelea sp. Species Thymelaeaceae Eukaryota PMID[4031900]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT168 Cell Line P388 Mus musculus ED50 = 0.00078 ug/ml 18183025

  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 NPC475638 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 NPC290683
1.0 High Similarity NPC475548
0.9862 High Similarity NPC471135
0.9797 High Similarity NPC323356
0.9797 High Similarity NPC326328
0.9797 High Similarity NPC471138
0.9797 High Similarity NPC309991
0.9662 High Similarity NPC322048
0.9662 High Similarity NPC318447
0.9595 High Similarity NPC326235
0.9595 High Similarity NPC323001
0.9536 High Similarity NPC478124
0.9346 High Similarity NPC478125
0.9338 High Similarity NPC319404
0.9324 High Similarity NPC62792
0.9315 High Similarity NPC312393
0.931 High Similarity NPC471139
0.9257 High Similarity NPC476173
0.9231 High Similarity NPC40138
0.9195 High Similarity NPC298072
0.9195 High Similarity NPC478123
0.9156 High Similarity NPC43304
0.9156 High Similarity NPC477188
0.9156 High Similarity NPC477190
0.9122 High Similarity NPC327031
0.9103 High Similarity NPC325078
0.9103 High Similarity NPC324769
0.9103 High Similarity NPC325732
0.8981 High Similarity NPC61891
0.8961 High Similarity NPC49297
0.8954 High Similarity NPC154675
0.8933 High Similarity NPC76103
0.8926 High Similarity NPC240115
0.8896 High Similarity NPC181924
0.8861 High Similarity NPC477491
0.8854 High Similarity NPC66193
0.8854 High Similarity NPC322420
0.8824 High Similarity NPC472657
0.8824 High Similarity NPC472658
0.8816 High Similarity NPC96308
0.88 High Similarity NPC478263
0.8797 High Similarity NPC471134
0.8792 High Similarity NPC34943
0.879 High Similarity NPC275477
0.8733 High Similarity NPC478264
0.8725 High Similarity NPC131966
0.8725 High Similarity NPC191387
0.8718 High Similarity NPC476784
0.8716 High Similarity NPC97947
0.8716 High Similarity NPC87448
0.8716 High Similarity NPC118080
0.8716 High Similarity NPC16912
0.8716 High Similarity NPC27377
0.8716 High Similarity NPC41481
0.8716 High Similarity NPC472576
0.8716 High Similarity NPC291599
0.8701 High Similarity NPC146310
0.8696 High Similarity NPC477488
0.8693 High Similarity NPC469415
0.8675 High Similarity NPC20255
0.8658 High Similarity NPC192658
0.8649 High Similarity NPC275592
0.8649 High Similarity NPC97667
0.8649 High Similarity NPC171207
0.8649 High Similarity NPC90614
0.8649 High Similarity NPC100913
0.8645 High Similarity NPC34066
0.8645 High Similarity NPC251139
0.8645 High Similarity NPC469422
0.8627 High Similarity NPC303429
0.8627 High Similarity NPC222102
0.8625 High Similarity NPC473468
0.8625 High Similarity NPC473557
0.8625 High Similarity NPC475567
0.8618 High Similarity NPC473760
0.8609 High Similarity NPC184817
0.8609 High Similarity NPC469349
0.8609 High Similarity NPC70403
0.8609 High Similarity NPC470159
0.8609 High Similarity NPC158663
0.8609 High Similarity NPC125882
0.8609 High Similarity NPC96903
0.8609 High Similarity NPC177940
0.8609 High Similarity NPC311825
0.8609 High Similarity NPC171525
0.8609 High Similarity NPC472571
0.8609 High Similarity NPC200471
0.8609 High Similarity NPC476973
0.8609 High Similarity NPC92867
0.8609 High Similarity NPC472568
0.8609 High Similarity NPC472575
0.8609 High Similarity NPC473088
0.8609 High Similarity NPC471104
0.8609 High Similarity NPC470157
0.8609 High Similarity NPC29704
0.8609 High Similarity NPC174982
0.8609 High Similarity NPC472572
0.8571 High Similarity NPC475175
0.8571 High Similarity NPC475531
0.8571 High Similarity NPC475198
0.8553 High Similarity NPC473602
0.8553 High Similarity NPC48599
0.8553 High Similarity NPC209592
0.8544 High Similarity NPC477623
0.8543 High Similarity NPC475759
0.8543 High Similarity NPC188865
0.8543 High Similarity NPC25768
0.8543 High Similarity NPC476974
0.8543 High Similarity NPC472570
0.8543 High Similarity NPC95265
0.8543 High Similarity NPC241951
0.8543 High Similarity NPC472573
0.8543 High Similarity NPC475122
0.8543 High Similarity NPC11685
0.8543 High Similarity NPC95810
0.8543 High Similarity NPC57628
0.8543 High Similarity NPC472569
0.8543 High Similarity NPC70716
0.8543 High Similarity NPC163719
0.8543 High Similarity NPC125106
0.8543 High Similarity NPC470152
0.8533 High Similarity NPC34012
0.8526 High Similarity NPC469398
0.8526 High Similarity NPC469456
0.8526 High Similarity NPC471176
0.8523 High Similarity NPC162613
0.8523 High Similarity NPC472547
0.8523 High Similarity NPC87934
0.8506 High Similarity NPC475561
0.8506 High Similarity NPC469448
0.8506 High Similarity NPC475417
0.8477 Intermediate Similarity NPC163087
0.8471 Intermediate Similarity NPC70344
0.8467 Intermediate Similarity NPC266374
0.8462 Intermediate Similarity NPC133430
0.8462 Intermediate Similarity NPC469477
0.8462 Intermediate Similarity NPC186746
0.8456 Intermediate Similarity NPC9905
0.8442 Intermediate Similarity NPC270590
0.8442 Intermediate Similarity NPC266265
0.8442 Intermediate Similarity NPC471101
0.8442 Intermediate Similarity NPC92293
0.8442 Intermediate Similarity NPC476975
0.8442 Intermediate Similarity NPC301556
0.8431 Intermediate Similarity NPC474935
0.8397 Intermediate Similarity NPC138641
0.8397 Intermediate Similarity NPC469647
0.8397 Intermediate Similarity NPC22571
0.8397 Intermediate Similarity NPC469648
0.8397 Intermediate Similarity NPC145649
0.8397 Intermediate Similarity NPC283875
0.8397 Intermediate Similarity NPC233581
0.8389 Intermediate Similarity NPC39549
0.8387 Intermediate Similarity NPC473214
0.8387 Intermediate Similarity NPC470245
0.8387 Intermediate Similarity NPC31829
0.8378 Intermediate Similarity NPC291638
0.8378 Intermediate Similarity NPC17877
0.8378 Intermediate Similarity NPC66761
0.8378 Intermediate Similarity NPC200154
0.8378 Intermediate Similarity NPC472577
0.8378 Intermediate Similarity NPC195647
0.8377 Intermediate Similarity NPC281717
0.8366 Intermediate Similarity NPC472556
0.8365 Intermediate Similarity NPC469399
0.8355 Intermediate Similarity NPC477894
0.8355 Intermediate Similarity NPC91703
0.8354 Intermediate Similarity NPC11410
0.8333 Intermediate Similarity NPC121268
0.8333 Intermediate Similarity NPC53361
0.8333 Intermediate Similarity NPC470153
0.8333 Intermediate Similarity NPC473301
0.8323 Intermediate Similarity NPC473215
0.8323 Intermediate Similarity NPC55744
0.8322 Intermediate Similarity NPC472545
0.8322 Intermediate Similarity NPC472551
0.8312 Intermediate Similarity NPC477737
0.8311 Intermediate Similarity NPC474608
0.8301 Intermediate Similarity NPC38696
0.8291 Intermediate Similarity NPC132599
0.8291 Intermediate Similarity NPC469730
0.8291 Intermediate Similarity NPC473632
0.8291 Intermediate Similarity NPC473611
0.8289 Intermediate Similarity NPC472546
0.828 Intermediate Similarity NPC472548
0.828 Intermediate Similarity NPC477905
0.8278 Intermediate Similarity NPC48017
0.8278 Intermediate Similarity NPC473060
0.8278 Intermediate Similarity NPC473085
0.8278 Intermediate Similarity NPC4341
0.8278 Intermediate Similarity NPC476094
0.8278 Intermediate Similarity NPC200592
0.8278 Intermediate Similarity NPC147880
0.8278 Intermediate Similarity NPC43241
0.8278 Intermediate Similarity NPC473758
0.8278 Intermediate Similarity NPC473112
0.8278 Intermediate Similarity NPC473081
0.8278 Intermediate Similarity NPC211137
0.8278 Intermediate Similarity NPC473613
0.8278 Intermediate Similarity NPC184747

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC475638 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
0.8193 Intermediate Similarity NPD7799 Discontinued
0.7785 Intermediate Similarity NPD7236 Approved
0.7719 Intermediate Similarity NPD8470 Clinical (unspecified phase)
0.7714 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7688 Intermediate Similarity NPD7685 Pre-registration
0.7654 Intermediate Similarity NPD7239 Suspended
0.76 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.7557 Intermediate Similarity NPD8407 Phase 2
0.7486 Intermediate Similarity NPD8368 Discontinued
0.7451 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7419 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.7248 Intermediate Similarity NPD5126 Approved
0.7248 Intermediate Similarity NPD5125 Phase 3
0.7235 Intermediate Similarity NPD7058 Phase 2
0.7235 Intermediate Similarity NPD7057 Phase 3
0.7182 Intermediate Similarity NPD8434 Phase 2
0.7135 Intermediate Similarity NPD4966 Approved
0.7135 Intermediate Similarity NPD4965 Approved
0.7135 Intermediate Similarity NPD4967 Phase 2
0.7104 Intermediate Similarity NPD8435 Approved
0.7104 Intermediate Similarity NPD8360 Approved
0.7104 Intermediate Similarity NPD8361 Approved
0.7088 Intermediate Similarity NPD8424 Clinical (unspecified phase)
0.7069 Intermediate Similarity NPD8127 Discontinued
0.7069 Intermediate Similarity NPD7199 Phase 2
0.7062 Intermediate Similarity NPD7228 Approved
0.7059 Intermediate Similarity NPD37 Approved
0.7052 Intermediate Similarity NPD6234 Discontinued
0.7027 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7016 Intermediate Similarity NPD7497 Discontinued
0.7 Intermediate Similarity NPD7741 Discontinued
0.6974 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6923 Remote Similarity NPD8313 Approved
0.6923 Remote Similarity NPD8312 Approved
0.6919 Remote Similarity NPD5760 Phase 2
0.6919 Remote Similarity NPD5761 Phase 2
0.6906 Remote Similarity NPD6764 Approved
0.6906 Remote Similarity NPD6559 Discontinued
0.6906 Remote Similarity NPD6765 Approved
0.6906 Remote Similarity NPD7240 Approved
0.6905 Remote Similarity NPD6273 Approved
0.6902 Remote Similarity NPD8150 Discontinued
0.6893 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6859 Remote Similarity NPD8486 Clinical (unspecified phase)
0.6845 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6842 Remote Similarity NPD7028 Phase 2
0.6833 Remote Similarity NPD5844 Phase 1
0.6829 Remote Similarity NPD5763 Approved
0.6829 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6829 Remote Similarity NPD6005 Phase 3
0.6829 Remote Similarity NPD5762 Approved
0.6829 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6829 Remote Similarity NPD6004 Phase 3
0.6829 Remote Similarity NPD7266 Discontinued
0.6829 Remote Similarity NPD6002 Phase 3
0.6821 Remote Similarity NPD8455 Phase 2
0.6821 Remote Similarity NPD7819 Suspended
0.6813 Remote Similarity NPD7961 Discontinued
0.6807 Remote Similarity NPD4628 Phase 3
0.6803 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6784 Remote Similarity NPD6591 Clinical (unspecified phase)
0.6769 Remote Similarity NPD7999 Approved
0.6766 Remote Similarity NPD6190 Approved
0.6757 Remote Similarity NPD6785 Approved
0.6757 Remote Similarity NPD6784 Approved
0.675 Remote Similarity NPD3764 Approved
0.6738 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6734 Remote Similarity NPD8462 Phase 1
0.6733 Remote Similarity NPD2629 Approved
0.6724 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6711 Remote Similarity NPD7516 Approved
0.6708 Remote Similarity NPD6663 Approved
0.6705 Remote Similarity NPD7075 Discontinued
0.6705 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6702 Remote Similarity NPD8485 Approved
0.6686 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6685 Remote Similarity NPD3818 Discontinued
0.6667 Remote Similarity NPD7274 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7699 Phase 2
0.6667 Remote Similarity NPD7930 Approved
0.6667 Remote Similarity NPD7700 Phase 2
0.6667 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7507 Approved
0.6648 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6648 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6647 Remote Similarity NPD4380 Phase 2
0.6646 Remote Similarity NPD7319 Approved
0.6645 Remote Similarity NPD7328 Approved
0.6645 Remote Similarity NPD7327 Approved
0.6644 Remote Similarity NPD6685 Approved
0.6633 Remote Similarity NPD8319 Approved
0.6633 Remote Similarity NPD8320 Phase 1
0.6612 Remote Similarity NPD7074 Phase 3
0.6607 Remote Similarity NPD8166 Discontinued
0.6597 Remote Similarity NPD6534 Approved
0.6597 Remote Similarity NPD6535 Approved
0.6593 Remote Similarity NPD3751 Discontinued
0.659 Remote Similarity NPD7458 Discontinued
0.6584 Remote Similarity NPD7008 Discontinued
0.6582 Remote Similarity NPD7435 Discontinued
0.6579 Remote Similarity NPD4198 Discontinued
0.6562 Remote Similarity NPD5736 Approved
0.6557 Remote Similarity NPD7054 Approved
0.6556 Remote Similarity NPD3787 Discontinued
0.6554 Remote Similarity NPD2182 Approved
0.6538 Remote Similarity NPD7473 Discontinued
0.6536 Remote Similarity NPD5494 Approved
0.6524 Remote Similarity NPD6355 Discontinued
0.6522 Remote Similarity NPD7472 Approved
0.6516 Remote Similarity NPD8296 Approved
0.6516 Remote Similarity NPD8380 Approved
0.6516 Remote Similarity NPD8335 Approved
0.6516 Remote Similarity NPD7503 Approved
0.6516 Remote Similarity NPD8033 Approved
0.6516 Remote Similarity NPD8379 Approved
0.6516 Remote Similarity NPD8378 Approved
0.6512 Remote Similarity NPD7314 Clinical (unspecified phase)
0.6509 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6505 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6505 Remote Similarity NPD7808 Phase 3
0.65 Remote Similarity NPD6085 Phase 2
0.65 Remote Similarity NPD5740 Clinical (unspecified phase)
0.6497 Remote Similarity NPD5402 Approved
0.6494 Remote Similarity NPD5808 Clinical (unspecified phase)
0.649 Remote Similarity NPD6858 Approved
0.649 Remote Similarity NPD7094 Approved
0.6486 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6485 Remote Similarity NPD6653 Approved
0.648 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6477 Remote Similarity NPD6801 Discontinued
0.6468 Remote Similarity NPD7874 Approved
0.6468 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6467 Remote Similarity NPD4141 Clinical (unspecified phase)
0.6464 Remote Similarity NPD6232 Discontinued
0.6453 Remote Similarity NPD2534 Approved
0.6453 Remote Similarity NPD2533 Approved
0.6453 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6453 Remote Similarity NPD2532 Approved
0.6452 Remote Similarity NPD7251 Discontinued
0.6452 Remote Similarity NPD8377 Approved
0.6452 Remote Similarity NPD8294 Approved
0.6447 Remote Similarity NPD6823 Phase 2
0.6446 Remote Similarity NPD7097 Phase 1
0.6441 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6439 Remote Similarity NPD8404 Phase 2
0.6438 Remote Similarity NPD5765 Approved
0.6429 Remote Similarity NPD6780 Approved
0.6429 Remote Similarity NPD6779 Approved
0.6429 Remote Similarity NPD6778 Approved
0.6429 Remote Similarity NPD2346 Discontinued
0.6429 Remote Similarity NPD6781 Approved
0.6429 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6429 Remote Similarity NPD6782 Approved
0.6429 Remote Similarity NPD6777 Approved
0.6429 Remote Similarity NPD6776 Approved
0.6424 Remote Similarity NPD5735 Approved
0.6424 Remote Similarity NPD969 Suspended
0.6424 Remote Similarity NPD230 Phase 1
0.6424 Remote Similarity NPD6912 Phase 3
0.6414 Remote Similarity NPD7698 Approved
0.6414 Remote Similarity NPD7697 Approved
0.6414 Remote Similarity NPD7680 Approved
0.6414 Remote Similarity NPD7696 Phase 3
0.6412 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6412 Remote Similarity NPD2575 Approved
0.6405 Remote Similarity NPD5951 Approved
0.6405 Remote Similarity NPD690 Clinical (unspecified phase)
0.6404 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6404 Remote Similarity NPD3817 Phase 2
0.6398 Remote Similarity NPD6797 Phase 2
0.6392 Remote Similarity NPD7492 Approved
0.6387 Remote Similarity NPD7610 Discontinued
0.6384 Remote Similarity NPD1934 Approved
0.6382 Remote Similarity NPD7870 Phase 2
0.6382 Remote Similarity NPD7871 Phase 2
0.6379 Remote Similarity NPD5403 Approved
0.6378 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6375 Remote Similarity NPD7736 Approved
0.6369 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6369 Remote Similarity NPD2935 Discontinued
0.6369 Remote Similarity NPD7768 Phase 2
0.6369 Remote Similarity NPD7137 Phase 2
0.6368 Remote Similarity NPD7701 Phase 2
0.6364 Remote Similarity NPD6599 Discontinued
0.6364 Remote Similarity NPD4140 Approved
0.6358 Remote Similarity NPD5401 Approved
0.6355 Remote Similarity NPD7801 Approved
0.6353 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6353 Remote Similarity NPD6674 Discontinued
0.6352 Remote Similarity NPD6616 Approved
0.6346 Remote Similarity NPD6054 Approved
0.6343 Remote Similarity NPD1653 Approved
0.6337 Remote Similarity NPD8151 Discontinued
0.6335 Remote Similarity NPD3094 Phase 2
0.6333 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6331 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6328 Remote Similarity NPD7411 Suspended
0.6327 Remote Similarity NPD5738 Clinical (unspecified phase)
0.6316 Remote Similarity NPD3750 Approved
0.6312 Remote Similarity NPD7078 Approved

Structure

External Identifiers

PubChem CID   44575166
ChEMBL   CHEMBL509984
ZINC  

Physicochemical Properties

Molecular Weight:  654.34
ALogP:  -3.0819
MLogP:  4.43
XLogP:  6.051
# Rotatable Bonds:  13
Polar Surface Area:  147.44
# H-Bond Aceptor:  10
# H-Bond Donor:  4
# Rings:  8
# Heavy Atoms:  47

Download Data

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