Natural Product: NPC43747

Natural Product ID:  NPC43747
Common Name:   Antcamphin J
IUPAC Name:   (2S,6R)-6-[(4S,5S,10S,12R,13R,14R,17R)-12-hydroxy-4,10,13-trimethyl-3,7,11-trioxo-1,2,4,5,6,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoic acid
Synonyms:  
Molecular Formula:   C29H40O6
Standard InCHIKey:  UHOSLQZZSSOKBP-FNOQRFBESA-N
Standard InCHI:  InChI=1S/C29H40O6/c1-14(16(3)27(34)35)7-8-15(2)18-9-10-19-23-22(31)13-20-17(4)21(30)11-12-28(20,5)24(23)25(32)26(33)29(18,19)6/h15-20,26,33H,1,7-13H2,2-6H3,(H,34,35)/t15-,16+,17+,18-,19+,20+,26+,28+,29-/m1/s1
Canonical SMILES:  C[C@@H](C(=C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)[C@@H](O)C(=O)C1=C2C(=O)C[C@@H]2[C@]1(C)CCC(=O)[C@H]2C)C)C(=O)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
NPO30573 Antrodia camphorata Species Fomitopsidaceae Eukaryota PMID[24387703]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 = 71300 nM 7931367
NPT81 Cell Line A549 Homo sapiens IC50 = 84400 nM 1336040

  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 NPC43747 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
0.967 High Similarity NPC328162
0.967 High Similarity NPC305483
0.967 High Similarity NPC96859
0.9451 High Similarity NPC166906
0.9362 High Similarity NPC157787
0.9362 High Similarity NPC88198
0.9348 High Similarity NPC470016
0.9348 High Similarity NPC317586
0.914 High Similarity NPC255809
0.9091 High Similarity NPC295244
0.9072 High Similarity NPC33973
0.9072 High Similarity NPC251017
0.9072 High Similarity NPC70967
0.9062 High Similarity NPC163372
0.9062 High Similarity NPC302537
0.9062 High Similarity NPC124211
0.898 High Similarity NPC470251
0.898 High Similarity NPC2436
0.898 High Similarity NPC135854
0.898 High Similarity NPC216245
0.8969 High Similarity NPC119601
0.8969 High Similarity NPC308726
0.8969 High Similarity NPC53222
0.8958 High Similarity NPC316964
0.8958 High Similarity NPC327431
0.8936 High Similarity NPC174948
0.8936 High Similarity NPC241156
0.8936 High Similarity NPC318282
0.8936 High Similarity NPC173875
0.8936 High Similarity NPC469995
0.8901 High Similarity NPC242864
0.8901 High Similarity NPC143767
0.8901 High Similarity NPC131470
0.8889 High Similarity NPC51452
0.8842 High Similarity NPC95565
0.8842 High Similarity NPC125622
0.8842 High Similarity NPC328371
0.8824 High Similarity NPC472928
0.8817 High Similarity NPC168027
0.8817 High Similarity NPC185936
0.8804 High Similarity NPC86319
0.8804 High Similarity NPC275740
0.88 High Similarity NPC472925
0.8778 High Similarity NPC311702
0.8778 High Similarity NPC123319
0.8778 High Similarity NPC94531
0.8763 High Similarity NPC287833
0.8763 High Similarity NPC51370
0.875 High Similarity NPC320306
0.875 High Similarity NPC216904
0.8737 High Similarity NPC37646
0.8737 High Similarity NPC48330
0.8723 High Similarity NPC25750
0.8723 High Similarity NPC206810
0.871 High Similarity NPC183283
0.8696 High Similarity NPC471722
0.8681 High Similarity NPC28252
0.8681 High Similarity NPC72133
0.8681 High Similarity NPC55309
0.866 High Similarity NPC197386
0.866 High Similarity NPC147954
0.866 High Similarity NPC275439
0.866 High Similarity NPC114274
0.866 High Similarity NPC112753
0.8654 High Similarity NPC472929
0.8646 High Similarity NPC3772
0.8646 High Similarity NPC243525
0.8646 High Similarity NPC40765
0.8646 High Similarity NPC173272
0.8646 High Similarity NPC472941
0.8646 High Similarity NPC456
0.8632 High Similarity NPC196485
0.8632 High Similarity NPC245972
0.8627 High Similarity NPC286174
0.8627 High Similarity NPC77947
0.8617 High Similarity NPC63748
0.8587 High Similarity NPC159046
0.8587 High Similarity NPC233836
0.8587 High Similarity NPC187376
0.8586 High Similarity NPC293753
0.8586 High Similarity NPC234892
0.8571 High Similarity NPC473038
0.8557 High Similarity NPC106557
0.8557 High Similarity NPC122294
0.8557 High Similarity NPC108078
0.8557 High Similarity NPC121339
0.8556 High Similarity NPC470015
0.8556 High Similarity NPC168188
0.8544 High Similarity NPC272898
0.8544 High Similarity NPC473036
0.8544 High Similarity NPC129689
0.8526 High Similarity NPC69454
0.8515 High Similarity NPC323834
0.8511 High Similarity NPC469400
0.8495 Intermediate Similarity NPC328539
0.8478 Intermediate Similarity NPC51014
0.8478 Intermediate Similarity NPC474732
0.8478 Intermediate Similarity NPC474778
0.8478 Intermediate Similarity NPC118648
0.8478 Intermediate Similarity NPC31564
0.8478 Intermediate Similarity NPC145879
0.8478 Intermediate Similarity NPC475022
0.8478 Intermediate Similarity NPC474733
0.8478 Intermediate Similarity NPC155011
0.8478 Intermediate Similarity NPC222613
0.8469 Intermediate Similarity NPC471717
0.8469 Intermediate Similarity NPC16021
0.8462 Intermediate Similarity NPC320801
0.8462 Intermediate Similarity NPC473246
0.8462 Intermediate Similarity NPC115303
0.8454 Intermediate Similarity NPC192428
0.8454 Intermediate Similarity NPC249954
0.8438 Intermediate Similarity NPC184870
0.8431 Intermediate Similarity NPC475294
0.8421 Intermediate Similarity NPC26888
0.8421 Intermediate Similarity NPC99380
0.8421 Intermediate Similarity NPC297265
0.8421 Intermediate Similarity NPC23434
0.8416 Intermediate Similarity NPC235889
0.8411 Intermediate Similarity NPC472927
0.8411 Intermediate Similarity NPC472934
0.8404 Intermediate Similarity NPC474704
0.8404 Intermediate Similarity NPC214387
0.8404 Intermediate Similarity NPC1015
0.8404 Intermediate Similarity NPC31985
0.8404 Intermediate Similarity NPC474889
0.8404 Intermediate Similarity NPC54689
0.8404 Intermediate Similarity NPC475921
0.8404 Intermediate Similarity NPC77168
0.8404 Intermediate Similarity NPC84271
0.8404 Intermediate Similarity NPC102414
0.8404 Intermediate Similarity NPC474245
0.8404 Intermediate Similarity NPC186688
0.84 Intermediate Similarity NPC195290
0.84 Intermediate Similarity NPC204450
0.8387 Intermediate Similarity NPC99909
0.8387 Intermediate Similarity NPC58063
0.8387 Intermediate Similarity NPC474684
0.8387 Intermediate Similarity NPC475740
0.8387 Intermediate Similarity NPC142361
0.8384 Intermediate Similarity NPC307954
0.8384 Intermediate Similarity NPC476274
0.8384 Intermediate Similarity NPC299971
0.8384 Intermediate Similarity NPC144660
0.837 Intermediate Similarity NPC469948
0.8367 Intermediate Similarity NPC18319
0.8367 Intermediate Similarity NPC18509
0.8367 Intermediate Similarity NPC23680
0.8352 Intermediate Similarity NPC278648
0.8352 Intermediate Similarity NPC476082
0.8351 Intermediate Similarity NPC469599
0.8351 Intermediate Similarity NPC200702
0.8351 Intermediate Similarity NPC472932
0.8351 Intermediate Similarity NPC259286
0.8333 Intermediate Similarity NPC477436
0.8333 Intermediate Similarity NPC12722
0.8333 Intermediate Similarity NPC477435
0.8333 Intermediate Similarity NPC109414
0.8333 Intermediate Similarity NPC472930
0.8333 Intermediate Similarity NPC181265
0.8317 Intermediate Similarity NPC236390
0.8317 Intermediate Similarity NPC275583
0.8317 Intermediate Similarity NPC55872
0.8316 Intermediate Similarity NPC129913
0.8316 Intermediate Similarity NPC289213
0.8316 Intermediate Similarity NPC477149
0.8316 Intermediate Similarity NPC477147
0.8316 Intermediate Similarity NPC111585
0.8316 Intermediate Similarity NPC20388
0.8316 Intermediate Similarity NPC148414
0.8316 Intermediate Similarity NPC191684
0.8316 Intermediate Similarity NPC175628
0.8302 Intermediate Similarity NPC472926
0.83 Intermediate Similarity NPC476240
0.83 Intermediate Similarity NPC224720
0.83 Intermediate Similarity NPC472924
0.83 Intermediate Similarity NPC476223
0.8298 Intermediate Similarity NPC471724
0.8283 Intermediate Similarity NPC166745
0.8283 Intermediate Similarity NPC10364
0.8283 Intermediate Similarity NPC235464
0.828 Intermediate Similarity NPC327115
0.828 Intermediate Similarity NPC20688
0.828 Intermediate Similarity NPC229717
0.8265 Intermediate Similarity NPC7124
0.8265 Intermediate Similarity NPC120708
0.8265 Intermediate Similarity NPC42042
0.8261 Intermediate Similarity NPC237712
0.8261 Intermediate Similarity NPC221758
0.8261 Intermediate Similarity NPC85774
0.8261 Intermediate Similarity NPC59453
0.8261 Intermediate Similarity NPC214043
0.8261 Intermediate Similarity NPC209882
0.8257 Intermediate Similarity NPC472933
0.8252 Intermediate Similarity NPC473037
0.8252 Intermediate Similarity NPC44063
0.8252 Intermediate Similarity NPC185
0.8247 Intermediate Similarity NPC469406
0.8242 Intermediate Similarity NPC260956
0.8242 Intermediate Similarity NPC327969

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC43747 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
0.8602 High Similarity NPD5328 Approved
0.8515 High Similarity NPD7128 Approved
0.8515 High Similarity NPD6675 Approved
0.8515 High Similarity NPD6402 Approved
0.8515 High Similarity NPD5739 Approved
0.8454 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.8454 Intermediate Similarity NPD5221 Approved
0.8454 Intermediate Similarity NPD4697 Phase 3
0.8454 Intermediate Similarity NPD5222 Approved
0.8421 Intermediate Similarity NPD6079 Approved
0.8367 Intermediate Similarity NPD4755 Approved
0.8367 Intermediate Similarity NPD5173 Approved
0.835 Intermediate Similarity NPD6899 Approved
0.835 Intermediate Similarity NPD6881 Approved
0.835 Intermediate Similarity NPD7320 Approved
0.828 Intermediate Similarity NPD5279 Phase 3
0.8269 Intermediate Similarity NPD6372 Approved
0.8269 Intermediate Similarity NPD6373 Approved
0.8261 Intermediate Similarity NPD4786 Approved
0.8252 Intermediate Similarity NPD5697 Approved
0.8252 Intermediate Similarity NPD5701 Approved
0.82 Intermediate Similarity NPD5286 Approved
0.82 Intermediate Similarity NPD4696 Approved
0.82 Intermediate Similarity NPD5285 Approved
0.82 Intermediate Similarity NPD4700 Approved
0.819 Intermediate Similarity NPD7290 Approved
0.819 Intermediate Similarity NPD7102 Approved
0.819 Intermediate Similarity NPD6883 Approved
0.8182 Intermediate Similarity NPD6083 Phase 2
0.8182 Intermediate Similarity NPD6084 Phase 2
0.8173 Intermediate Similarity NPD6011 Approved
0.8163 Intermediate Similarity NPD5695 Phase 3
0.8144 Intermediate Similarity NPD6399 Phase 3
0.8119 Intermediate Similarity NPD5223 Approved
0.8113 Intermediate Similarity NPD6649 Approved
0.8113 Intermediate Similarity NPD6847 Approved
0.8113 Intermediate Similarity NPD6617 Approved
0.8113 Intermediate Similarity NPD6650 Approved
0.8113 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.8113 Intermediate Similarity NPD6869 Approved
0.8113 Intermediate Similarity NPD8130 Phase 1
0.8105 Intermediate Similarity NPD6672 Approved
0.8105 Intermediate Similarity NPD5737 Approved
0.81 Intermediate Similarity NPD5696 Approved
0.8095 Intermediate Similarity NPD6014 Approved
0.8095 Intermediate Similarity NPD6013 Approved
0.8095 Intermediate Similarity NPD6012 Approved
0.8085 Intermediate Similarity NPD3618 Phase 1
0.8043 Intermediate Similarity NPD3667 Approved
0.8041 Intermediate Similarity NPD7515 Phase 2
0.8039 Intermediate Similarity NPD5211 Phase 2
0.8039 Intermediate Similarity NPD5226 Approved
0.8039 Intermediate Similarity NPD5224 Approved
0.8039 Intermediate Similarity NPD5225 Approved
0.8039 Intermediate Similarity NPD4633 Approved
0.8037 Intermediate Similarity NPD6882 Approved
0.8037 Intermediate Similarity NPD8297 Approved
0.8021 Intermediate Similarity NPD4753 Phase 2
0.798 Intermediate Similarity NPD4629 Approved
0.798 Intermediate Similarity NPD5210 Approved
0.7961 Intermediate Similarity NPD5174 Approved
0.7961 Intermediate Similarity NPD5175 Approved
0.7961 Intermediate Similarity NPD4754 Approved
0.7885 Intermediate Similarity NPD5141 Approved
0.7872 Intermediate Similarity NPD3666 Approved
0.7872 Intermediate Similarity NPD3133 Approved
0.7872 Intermediate Similarity NPD3665 Phase 1
0.7818 Intermediate Similarity NPD6868 Approved
0.781 Intermediate Similarity NPD4767 Approved
0.781 Intermediate Similarity NPD4768 Approved
0.7798 Intermediate Similarity NPD4632 Approved
0.7789 Intermediate Similarity NPD5329 Approved
0.7789 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD4202 Approved
0.7708 Intermediate Similarity NPD7334 Approved
0.7708 Intermediate Similarity NPD5690 Phase 2
0.7708 Intermediate Similarity NPD7521 Approved
0.7708 Intermediate Similarity NPD4694 Approved
0.7708 Intermediate Similarity NPD6409 Approved
0.7708 Intermediate Similarity NPD5330 Approved
0.7708 Intermediate Similarity NPD7146 Approved
0.7708 Intermediate Similarity NPD5280 Approved
0.7708 Intermediate Similarity NPD6684 Approved
0.77 Intermediate Similarity NPD7748 Approved
0.7684 Intermediate Similarity NPD4197 Approved
0.7679 Intermediate Similarity NPD6335 Approved
0.7677 Intermediate Similarity NPD6050 Approved
0.7677 Intermediate Similarity NPD5281 Approved
0.7677 Intermediate Similarity NPD5284 Approved
0.7664 Intermediate Similarity NPD4729 Approved
0.7664 Intermediate Similarity NPD4730 Approved
0.7664 Intermediate Similarity NPD5128 Approved
0.7664 Intermediate Similarity NPD5168 Approved
0.7658 Intermediate Similarity NPD6274 Approved
0.7653 Intermediate Similarity NPD6673 Approved
0.7653 Intermediate Similarity NPD6904 Approved
0.7653 Intermediate Similarity NPD6080 Approved
0.7653 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7611 Intermediate Similarity NPD7100 Approved
0.7611 Intermediate Similarity NPD7101 Approved
0.7609 Intermediate Similarity NPD3617 Approved
0.7589 Intermediate Similarity NPD6317 Approved
0.7589 Intermediate Similarity NPD6009 Approved
0.7576 Intermediate Similarity NPD5692 Phase 3
0.7551 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7551 Intermediate Similarity NPD6903 Approved
0.7523 Intermediate Similarity NPD4634 Approved
0.7523 Intermediate Similarity NPD5249 Phase 3
0.7523 Intermediate Similarity NPD5251 Approved
0.7523 Intermediate Similarity NPD5247 Approved
0.7523 Intermediate Similarity NPD5134 Clinical (unspecified phase)
0.7523 Intermediate Similarity NPD5135 Approved
0.7523 Intermediate Similarity NPD5248 Approved
0.7523 Intermediate Similarity NPD5169 Approved
0.7523 Intermediate Similarity NPD5250 Approved
0.7522 Intermediate Similarity NPD6313 Approved
0.7522 Intermediate Similarity NPD6314 Approved
0.75 Intermediate Similarity NPD3668 Phase 3
0.75 Intermediate Similarity NPD6411 Approved
0.75 Intermediate Similarity NPD5694 Approved
0.7478 Intermediate Similarity NPD6908 Approved
0.7478 Intermediate Similarity NPD6909 Approved
0.7477 Intermediate Similarity NPD6008 Approved
0.7476 Intermediate Similarity NPD7902 Approved
0.7474 Intermediate Similarity NPD4221 Approved
0.7474 Intermediate Similarity NPD4223 Phase 3
0.7455 Intermediate Similarity NPD5215 Approved
0.7455 Intermediate Similarity NPD5217 Approved
0.7455 Intermediate Similarity NPD5127 Approved
0.7455 Intermediate Similarity NPD5216 Approved
0.7447 Intermediate Similarity NPD4695 Discontinued
0.7404 Intermediate Similarity NPD7638 Approved
0.7391 Intermediate Similarity NPD6319 Approved
0.735 Intermediate Similarity NPD7604 Phase 2
0.7347 Intermediate Similarity NPD6098 Approved
0.7333 Intermediate Similarity NPD7640 Approved
0.7333 Intermediate Similarity NPD7639 Approved
0.7328 Intermediate Similarity NPD6291 Clinical (unspecified phase)
0.7328 Intermediate Similarity NPD5983 Phase 2
0.7327 Intermediate Similarity NPD8034 Phase 2
0.7327 Intermediate Similarity NPD8035 Phase 2
0.7327 Intermediate Similarity NPD5693 Phase 1
0.73 Intermediate Similarity NPD6101 Approved
0.73 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7288 Intermediate Similarity NPD7492 Approved
0.7283 Intermediate Similarity NPD7339 Approved
0.7283 Intermediate Similarity NPD6942 Approved
0.7282 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7281 Intermediate Similarity NPD7115 Discovery
0.7263 Intermediate Similarity NPD8259 Clinical (unspecified phase)
0.7257 Intermediate Similarity NPD5167 Approved
0.7241 Intermediate Similarity NPD6054 Approved
0.7241 Intermediate Similarity NPD6059 Approved
0.7227 Intermediate Similarity NPD6336 Discontinued
0.7227 Intermediate Similarity NPD6616 Approved
0.7216 Intermediate Similarity NPD4788 Approved
0.7212 Intermediate Similarity NPD7614 Phase 1
0.7204 Intermediate Similarity NPD6117 Approved
0.7184 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7184 Intermediate Similarity NPD7900 Approved
0.7174 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7172 Intermediate Similarity NPD4688 Approved
0.7172 Intermediate Similarity NPD4689 Approved
0.7172 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7172 Intermediate Similarity NPD4690 Approved
0.7172 Intermediate Similarity NPD5205 Approved
0.7172 Intermediate Similarity NPD4138 Approved
0.7172 Intermediate Similarity NPD4693 Phase 3
0.7167 Intermediate Similarity NPD8293 Discontinued
0.7167 Intermediate Similarity NPD7078 Approved
0.7128 Intermediate Similarity NPD6116 Phase 1
0.7119 Intermediate Similarity NPD6370 Approved
0.7115 Intermediate Similarity NPD5654 Approved
0.7107 Intermediate Similarity NPD7736 Approved
0.71 Intermediate Similarity NPD3573 Approved
0.7087 Intermediate Similarity NPD5133 Approved
0.7083 Intermediate Similarity NPD7525 Registered
0.7059 Intermediate Similarity NPD5207 Approved
0.7053 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.7053 Intermediate Similarity NPD6697 Approved
0.7053 Intermediate Similarity NPD6115 Approved
0.7053 Intermediate Similarity NPD6118 Approved
0.7053 Intermediate Similarity NPD6114 Approved
0.7037 Intermediate Similarity NPD5091 Approved
0.7034 Intermediate Similarity NPD6016 Approved
0.7034 Intermediate Similarity NPD6015 Approved
0.703 Intermediate Similarity NPD5208 Approved
0.7021 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.701 Intermediate Similarity NPD4692 Approved
0.701 Intermediate Similarity NPD4139 Approved
0.6989 Remote Similarity NPD5733 Approved
0.6981 Remote Similarity NPD5959 Approved
0.6975 Remote Similarity NPD5988 Approved
0.6957 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6957 Remote Similarity NPD6081 Approved
0.6957 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6937 Remote Similarity NPD6614 Approved
0.6937 Remote Similarity NPD6412 Phase 2
0.693 Remote Similarity NPD6053 Discontinued
0.6923 Remote Similarity NPD5778 Approved

Structure

External Identifiers

PubChem CID   76317399
ChEMBL   CHEMBL3105004
ZINC  

Physicochemical Properties

Molecular Weight:  484.28
ALogP:  0.969
MLogP:  3.99
XLogP:  3.389
# Rotatable Bonds:  13
Polar Surface Area:  108.74
# H-Bond Aceptor:  6
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  35

Download Data

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