Natural Product: NPC213636

Natural Product ID:  NPC213636
Common Name:   Papuaforin C
IUPAC Name:  
Synonyms:   papuaforin C
Molecular Formula:   C27H38O4
Standard InCHIKey:  CIMLTJLAJZUYBN-DAYBPDHMSA-N
Standard InCHI:  InChI=1S/C27H38O4/c1-10-17(4)20(28)27-21(29)19-13-14-24(5,6)31-22(19)26(9,23(27)30)15-18(25(27,7)8)12-11-16(2)3/h11,13-14,17-18H,10,12,15H2,1-9H3/t17?,18-,26+,27-/m1/s1
Canonical SMILES:  CCC(C(=O)[C@@]12C(=O)C3=C([C@](C1=O)(C)C[C@H](C2(C)C)CC=C(C)C)OC(C=C3)(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
NPO21587 Hypericum papuanum Species Hypericaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT91 Cell Line KB Homo sapiens IC50 = 4.9 ug/ml 11421727
NPT314 Organism Bacillus cereus Bacillus cereus MIC = 64 ug/ml 11421727
NPT729 Organism Micrococcus luteus Micrococcus luteus MIC = 32 ug/ml 11421727

  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 NPC213636 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 NPC280592
1.0 High Similarity NPC253177
0.9882 High Similarity NPC471329
0.9882 High Similarity NPC296114
0.8539 High Similarity NPC103743
0.8539 High Similarity NPC113370
0.8539 High Similarity NPC476079
0.8444 Intermediate Similarity NPC478261
0.8444 Intermediate Similarity NPC478260
0.8444 Intermediate Similarity NPC478259
0.8352 Intermediate Similarity NPC284561
0.8315 Intermediate Similarity NPC307112
0.8242 Intermediate Similarity NPC472302
0.8222 Intermediate Similarity NPC470345
0.8152 Intermediate Similarity NPC472688
0.8152 Intermediate Similarity NPC472676
0.814 Intermediate Similarity NPC478247
0.814 Intermediate Similarity NPC478246
0.8132 Intermediate Similarity NPC125925
0.8132 Intermediate Similarity NPC38885
0.809 Intermediate Similarity NPC475083
0.8068 Intermediate Similarity NPC44963
0.8068 Intermediate Similarity NPC472684
0.8043 Intermediate Similarity NPC143025
0.7959 Intermediate Similarity NPC54705
0.7957 Intermediate Similarity NPC173042
0.7935 Intermediate Similarity NPC163016
0.7935 Intermediate Similarity NPC477228
0.7935 Intermediate Similarity NPC75315
0.7917 Intermediate Similarity NPC171395
0.7889 Intermediate Similarity NPC288281
0.7879 Intermediate Similarity NPC168319
0.7879 Intermediate Similarity NPC474912
0.7879 Intermediate Similarity NPC194028
0.7879 Intermediate Similarity NPC474899
0.7872 Intermediate Similarity NPC212679
0.7872 Intermediate Similarity NPC220454
0.7872 Intermediate Similarity NPC469595
0.7865 Intermediate Similarity NPC189237
0.7849 Intermediate Similarity NPC72397
0.7826 Intermediate Similarity NPC220478
0.7822 Intermediate Similarity NPC476001
0.7822 Intermediate Similarity NPC474898
0.7812 Intermediate Similarity NPC38830
0.7789 Intermediate Similarity NPC478244
0.7789 Intermediate Similarity NPC478243
0.7755 Intermediate Similarity NPC239895
0.7745 Intermediate Similarity NPC478052
0.7742 Intermediate Similarity NPC181327
0.7732 Intermediate Similarity NPC295347
0.7727 Intermediate Similarity NPC471409
0.7727 Intermediate Similarity NPC275494
0.7723 Intermediate Similarity NPC271059
0.7723 Intermediate Similarity NPC25666
0.7717 Intermediate Similarity NPC470048
0.7717 Intermediate Similarity NPC137493
0.7717 Intermediate Similarity NPC189311
0.7708 Intermediate Similarity NPC248193
0.7692 Intermediate Similarity NPC137911
0.7692 Intermediate Similarity NPC228477
0.7684 Intermediate Similarity NPC113393
0.7684 Intermediate Similarity NPC476369
0.7684 Intermediate Similarity NPC476437
0.7684 Intermediate Similarity NPC469372
0.7684 Intermediate Similarity NPC223093
0.7653 Intermediate Similarity NPC472733
0.7653 Intermediate Similarity NPC21681
0.7653 Intermediate Similarity NPC472734
0.7653 Intermediate Similarity NPC472675
0.7634 Intermediate Similarity NPC477479
0.7634 Intermediate Similarity NPC477478
0.7629 Intermediate Similarity NPC476415
0.7604 Intermediate Similarity NPC166110
0.7604 Intermediate Similarity NPC190442
0.7596 Intermediate Similarity NPC220155
0.7579 Intermediate Similarity NPC36668
0.7579 Intermediate Similarity NPC280833
0.7579 Intermediate Similarity NPC118011
0.7576 Intermediate Similarity NPC472732
0.7576 Intermediate Similarity NPC208094
0.7576 Intermediate Similarity NPC27105
0.7576 Intermediate Similarity NPC53844
0.7576 Intermediate Similarity NPC2049
0.7576 Intermediate Similarity NPC478233
0.7576 Intermediate Similarity NPC472731
0.7573 Intermediate Similarity NPC266570
0.7553 Intermediate Similarity NPC171722
0.7553 Intermediate Similarity NPC478145
0.7553 Intermediate Similarity NPC471728
0.7551 Intermediate Similarity NPC209355
0.7549 Intermediate Similarity NPC329345
0.7549 Intermediate Similarity NPC470954
0.7549 Intermediate Similarity NPC473283
0.7549 Intermediate Similarity NPC475526
0.7528 Intermediate Similarity NPC189485
0.7527 Intermediate Similarity NPC478245
0.7526 Intermediate Similarity NPC229976
0.7526 Intermediate Similarity NPC1108
0.7525 Intermediate Similarity NPC472637
0.7525 Intermediate Similarity NPC310981
0.75 Intermediate Similarity NPC472730
0.75 Intermediate Similarity NPC473169
0.75 Intermediate Similarity NPC153776
0.75 Intermediate Similarity NPC177680
0.75 Intermediate Similarity NPC212369
0.75 Intermediate Similarity NPC8062
0.75 Intermediate Similarity NPC472687
0.75 Intermediate Similarity NPC470047
0.75 Intermediate Similarity NPC471330
0.75 Intermediate Similarity NPC470046
0.75 Intermediate Similarity NPC203388
0.75 Intermediate Similarity NPC472729
0.75 Intermediate Similarity NPC471331
0.75 Intermediate Similarity NPC476958
0.75 Intermediate Similarity NPC99657
0.7476 Intermediate Similarity NPC470297
0.7475 Intermediate Similarity NPC112654
0.7474 Intermediate Similarity NPC307298
0.7474 Intermediate Similarity NPC24816
0.7473 Intermediate Similarity NPC474955
0.7473 Intermediate Similarity NPC225515
0.7473 Intermediate Similarity NPC474085
0.7473 Intermediate Similarity NPC282293
0.7449 Intermediate Similarity NPC477130
0.7449 Intermediate Similarity NPC477129
0.7449 Intermediate Similarity NPC470697
0.7449 Intermediate Similarity NPC477241
0.7449 Intermediate Similarity NPC84893
0.7447 Intermediate Similarity NPC470050
0.7447 Intermediate Similarity NPC470051
0.7447 Intermediate Similarity NPC470346
0.7444 Intermediate Similarity NPC28319
0.7426 Intermediate Similarity NPC472727
0.7426 Intermediate Similarity NPC472728
0.7426 Intermediate Similarity NPC476933
0.7423 Intermediate Similarity NPC193396
0.7423 Intermediate Similarity NPC32944
0.7423 Intermediate Similarity NPC204341
0.7423 Intermediate Similarity NPC472975
0.7419 Intermediate Similarity NPC476412
0.7416 Intermediate Similarity NPC472300
0.7416 Intermediate Similarity NPC54996
0.7407 Intermediate Similarity NPC321496
0.7404 Intermediate Similarity NPC189863
0.7404 Intermediate Similarity NPC32006
0.7404 Intermediate Similarity NPC85529
0.74 Intermediate Similarity NPC151488
0.74 Intermediate Similarity NPC110937
0.74 Intermediate Similarity NPC84335
0.74 Intermediate Similarity NPC38530
0.7396 Intermediate Similarity NPC474918
0.7396 Intermediate Similarity NPC142159
0.7396 Intermediate Similarity NPC285982
0.7396 Intermediate Similarity NPC474844
0.7396 Intermediate Similarity NPC95364
0.7396 Intermediate Similarity NPC5509
0.7391 Intermediate Similarity NPC268122
0.7386 Intermediate Similarity NPC65650
0.7386 Intermediate Similarity NPC473171
0.7383 Intermediate Similarity NPC324683
0.7383 Intermediate Similarity NPC474315
0.7379 Intermediate Similarity NPC291154
0.7374 Intermediate Similarity NPC777
0.7374 Intermediate Similarity NPC31021
0.7374 Intermediate Similarity NPC33473
0.7368 Intermediate Similarity NPC30421
0.7368 Intermediate Similarity NPC476409
0.7368 Intermediate Similarity NPC478144
0.7363 Intermediate Similarity NPC476809
0.7353 Intermediate Similarity NPC323441
0.7353 Intermediate Similarity NPC93744
0.7353 Intermediate Similarity NPC476888
0.7353 Intermediate Similarity NPC244456
0.7353 Intermediate Similarity NPC469657
0.7353 Intermediate Similarity NPC473174
0.7347 Intermediate Similarity NPC474807
0.7347 Intermediate Similarity NPC476416
0.7347 Intermediate Similarity NPC271652
0.7345 Intermediate Similarity NPC476225
0.734 Intermediate Similarity NPC8518
0.734 Intermediate Similarity NPC241512
0.734 Intermediate Similarity NPC132228
0.734 Intermediate Similarity NPC6185
0.734 Intermediate Similarity NPC133652
0.734 Intermediate Similarity NPC76333
0.734 Intermediate Similarity NPC263997
0.7333 Intermediate Similarity NPC91034
0.7333 Intermediate Similarity NPC4827
0.7333 Intermediate Similarity NPC469996
0.7333 Intermediate Similarity NPC470052
0.7327 Intermediate Similarity NPC471582
0.7327 Intermediate Similarity NPC316598
0.732 Intermediate Similarity NPC159748
0.732 Intermediate Similarity NPC51486
0.732 Intermediate Similarity NPC101651
0.732 Intermediate Similarity NPC76286
0.7312 Intermediate Similarity NPC474790
0.7312 Intermediate Similarity NPC193198
0.7312 Intermediate Similarity NPC118423
0.7312 Intermediate Similarity NPC474976

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC213636 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
0.7423 Intermediate Similarity NPD6050 Approved
0.7423 Intermediate Similarity NPD5694 Approved
0.7423 Intermediate Similarity NPD5693 Phase 1
0.7368 Intermediate Similarity NPD3573 Approved
0.732 Intermediate Similarity NPD5207 Approved
0.732 Intermediate Similarity NPD5692 Phase 3
0.7263 Intermediate Similarity NPD4623 Approved
0.7263 Intermediate Similarity NPD4519 Discontinued
0.7216 Intermediate Similarity NPD6904 Approved
0.7216 Intermediate Similarity NPD6673 Approved
0.7216 Intermediate Similarity NPD6080 Approved
0.7204 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7174 Intermediate Similarity NPD4695 Discontinued
0.7113 Intermediate Similarity NPD6672 Approved
0.7113 Intermediate Similarity NPD5737 Approved
0.7083 Intermediate Similarity NPD5330 Approved
0.7083 Intermediate Similarity NPD4694 Approved
0.7083 Intermediate Similarity NPD7334 Approved
0.7083 Intermediate Similarity NPD7146 Approved
0.7083 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD6684 Approved
0.7083 Intermediate Similarity NPD5280 Approved
0.7083 Intermediate Similarity NPD7521 Approved
0.7083 Intermediate Similarity NPD6409 Approved
0.7079 Intermediate Similarity NPD4058 Approved
0.7079 Intermediate Similarity NPD5733 Approved
0.7079 Intermediate Similarity NPD4687 Approved
0.7071 Intermediate Similarity NPD5284 Approved
0.7071 Intermediate Similarity NPD5281 Approved
0.7041 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD4223 Phase 3
0.7021 Intermediate Similarity NPD4221 Approved
0.7 Intermediate Similarity NPD8039 Approved
0.6979 Remote Similarity NPD5329 Approved
0.6979 Remote Similarity NPD1694 Approved
0.6939 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6939 Remote Similarity NPD6903 Approved
0.6939 Remote Similarity NPD5208 Approved
0.6907 Remote Similarity NPD6098 Approved
0.6907 Remote Similarity NPD5690 Phase 2
0.6903 Remote Similarity NPD7115 Discovery
0.69 Remote Similarity NPD6411 Approved
0.6875 Remote Similarity NPD4197 Approved
0.6863 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6863 Remote Similarity NPD5654 Approved
0.6854 Remote Similarity NPD5276 Approved
0.6818 Remote Similarity NPD4137 Phase 3
0.6774 Remote Similarity NPD3617 Approved
0.6765 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6765 Remote Similarity NPD7900 Approved
0.6765 Remote Similarity NPD7748 Approved
0.6742 Remote Similarity NPD4747 Approved
0.6742 Remote Similarity NPD4691 Approved
0.6735 Remote Similarity NPD4693 Phase 3
0.6735 Remote Similarity NPD4689 Approved
0.6735 Remote Similarity NPD5205 Approved
0.6735 Remote Similarity NPD5279 Phase 3
0.6735 Remote Similarity NPD4138 Approved
0.6735 Remote Similarity NPD4688 Approved
0.6735 Remote Similarity NPD4690 Approved
0.6733 Remote Similarity NPD6079 Approved
0.6731 Remote Similarity NPD6084 Phase 2
0.6731 Remote Similarity NPD6083 Phase 2
0.6731 Remote Similarity NPD5959 Approved
0.6701 Remote Similarity NPD3665 Phase 1
0.6701 Remote Similarity NPD3133 Approved
0.6701 Remote Similarity NPD3666 Approved
0.67 Remote Similarity NPD5328 Approved
0.67 Remote Similarity NPD6101 Approved
0.67 Remote Similarity NPD5764 Clinical (unspecified phase)
0.67 Remote Similarity NPD4753 Phase 2
0.6699 Remote Similarity NPD5695 Phase 3
0.6667 Remote Similarity NPD5778 Approved
0.6667 Remote Similarity NPD5209 Approved
0.6667 Remote Similarity NPD5779 Approved
0.6634 Remote Similarity NPD4096 Approved
0.6602 Remote Similarity NPD6001 Approved
0.66 Remote Similarity NPD4518 Approved
0.6571 Remote Similarity NPD7902 Approved
0.6569 Remote Similarity NPD7515 Phase 2
0.6566 Remote Similarity NPD3618 Phase 1
0.6549 Remote Similarity NPD6053 Discontinued
0.6538 Remote Similarity NPD4629 Approved
0.6538 Remote Similarity NPD5210 Approved
0.6535 Remote Similarity NPD6051 Approved
0.6531 Remote Similarity NPD4786 Approved
0.6531 Remote Similarity NPD3668 Phase 3
0.6526 Remote Similarity NPD4195 Approved
0.6509 Remote Similarity NPD5696 Approved
0.6509 Remote Similarity NPD7638 Approved
0.6505 Remote Similarity NPD5133 Approved
0.6505 Remote Similarity NPD6399 Phase 3
0.6495 Remote Similarity NPD3667 Approved
0.6486 Remote Similarity NPD6899 Approved
0.6486 Remote Similarity NPD6881 Approved
0.6481 Remote Similarity NPD5211 Phase 2
0.6477 Remote Similarity NPD7331 Phase 2
0.6476 Remote Similarity NPD7732 Phase 3
0.6476 Remote Similarity NPD5222 Approved
0.6476 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6476 Remote Similarity NPD5221 Approved
0.6455 Remote Similarity NPD6675 Approved
0.6455 Remote Similarity NPD6402 Approved
0.6455 Remote Similarity NPD7128 Approved
0.6455 Remote Similarity NPD5739 Approved
0.6449 Remote Similarity NPD7640 Approved
0.6449 Remote Similarity NPD4696 Approved
0.6449 Remote Similarity NPD7639 Approved
0.6449 Remote Similarity NPD5286 Approved
0.6449 Remote Similarity NPD5285 Approved
0.6442 Remote Similarity NPD5282 Discontinued
0.6429 Remote Similarity NPD3527 Clinical (unspecified phase)
0.6422 Remote Similarity NPD6052 Approved
0.6415 Remote Similarity NPD5173 Approved
0.6415 Remote Similarity NPD4755 Approved
0.6396 Remote Similarity NPD5697 Approved
0.6396 Remote Similarity NPD6614 Approved
0.6389 Remote Similarity NPD5223 Approved
0.6372 Remote Similarity NPD7102 Approved
0.6372 Remote Similarity NPD7290 Approved
0.6372 Remote Similarity NPD6883 Approved
0.6364 Remote Similarity NPD5141 Approved
0.6364 Remote Similarity NPD7341 Phase 2
0.6346 Remote Similarity NPD4202 Approved
0.6339 Remote Similarity NPD6011 Approved
0.6339 Remote Similarity NPD7320 Approved
0.6333 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6333 Remote Similarity NPD3412 Clinical (unspecified phase)
0.633 Remote Similarity NPD4633 Approved
0.633 Remote Similarity NPD5224 Approved
0.633 Remote Similarity NPD5226 Approved
0.633 Remote Similarity NPD5225 Approved
0.6327 Remote Similarity NPD4800 Clinical (unspecified phase)
0.6321 Remote Similarity NPD7614 Phase 1
0.6321 Remote Similarity NPD4697 Phase 3
0.6316 Remote Similarity NPD6617 Approved
0.6316 Remote Similarity NPD8130 Phase 1
0.6316 Remote Similarity NPD6847 Approved
0.6316 Remote Similarity NPD6649 Approved
0.6316 Remote Similarity NPD6869 Approved
0.6316 Remote Similarity NPD6650 Approved
0.6311 Remote Similarity NPD5785 Approved
0.6306 Remote Similarity NPD6008 Approved
0.6296 Remote Similarity NPD4700 Approved
0.6296 Remote Similarity NPD6404 Discontinued
0.6283 Remote Similarity NPD6014 Approved
0.6283 Remote Similarity NPD6372 Approved
0.6283 Remote Similarity NPD6013 Approved
0.6283 Remote Similarity NPD6373 Approved
0.6283 Remote Similarity NPD6012 Approved
0.6273 Remote Similarity NPD5175 Approved
0.6273 Remote Similarity NPD5174 Approved
0.6263 Remote Similarity NPD4788 Approved
0.6261 Remote Similarity NPD6882 Approved
0.6261 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6261 Remote Similarity NPD8297 Approved
0.625 Remote Similarity NPD5701 Approved
0.6228 Remote Similarity NPD4634 Approved
0.6226 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6224 Remote Similarity NPD4692 Approved
0.6224 Remote Similarity NPD4139 Approved
0.6216 Remote Similarity NPD5909 Discontinued
0.6204 Remote Similarity NPD4225 Approved
0.6195 Remote Similarity NPD6686 Approved
0.6182 Remote Similarity NPD5091 Approved
0.6174 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6167 Remote Similarity NPD6054 Approved
0.6148 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6139 Remote Similarity NPD1696 Phase 3
0.6126 Remote Similarity NPD4754 Approved
0.6122 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6116 Remote Similarity NPD7503 Approved
0.6111 Remote Similarity NPD6108 Clinical (unspecified phase)
0.6106 Remote Similarity NPD6412 Phase 2
0.6106 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6095 Remote Similarity NPD7637 Suspended
0.6068 Remote Similarity NPD7094 Approved
0.6068 Remote Similarity NPD6858 Approved
0.6067 Remote Similarity NPD5325 Clinical (unspecified phase)
0.6066 Remote Similarity NPD6370 Approved
0.6063 Remote Similarity NPD7260 Phase 2
0.6061 Remote Similarity NPD8028 Phase 2
0.6053 Remote Similarity NPD4730 Approved
0.6053 Remote Similarity NPD4729 Approved
0.6053 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6047 Remote Similarity NPD287 Approved
0.6033 Remote Similarity NPD6319 Approved
0.6033 Remote Similarity NPD6059 Approved
0.6018 Remote Similarity NPD4768 Approved
0.6018 Remote Similarity NPD4767 Approved
0.6 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6 Remote Similarity NPD4784 Approved
0.6 Remote Similarity NPD6335 Approved
0.6 Remote Similarity NPD4785 Approved
0.5984 Remote Similarity NPD6016 Approved
0.5984 Remote Similarity NPD6015 Approved
0.5979 Remote Similarity NPD4756 Discovery
0.5968 Remote Similarity NPD7492 Approved
0.5966 Remote Similarity NPD6868 Approved
0.5957 Remote Similarity NPD4243 Approved

Structure

External Identifiers

PubChem CID   10993623
ChEMBL   CHEMBL509789
ZINC  

Physicochemical Properties

Molecular Weight:  426.28
ALogP:  2.4502
MLogP:  3.99
XLogP:  5.847
# Rotatable Bonds:  14
Polar Surface Area:  60.44
# H-Bond Aceptor:  4
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  31

Download Data

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