Natural Product: NPC474474

Natural Product ID:  NPC474474
Common Name:   Acridocarpusic Acid
IUPAC Name:   (2R,4aS,6aR,6aR,6bR,8aR,9S,12aR,14aS)-9-formyl-2,6a,6b,9,12a-pentamethyl-10-oxo-2,3,4,5,6,6a,7,8,8a,11,12,13,14,14a-tetradecahydropicene-4a-carboxylic acid
Synonyms:   Acridocarpusic Acid
Molecular Formula:   C29H42O4
Standard InCHIKey:  UZDDERPHRUGRNN-WUMMHROKSA-N
Standard InCHI:  InChI=1S/C29H42O4/c1-18-8-13-29(24(32)33)15-14-27(4)19(20(29)16-18)6-7-22-25(2)11-10-23(31)26(3,17-30)21(25)9-12-28(22,27)5/h16-19,21-22H,6-15H2,1-5H3,(H,32,33)/t18-,19-,21-,22-,25+,26-,27-,28-,29+/m1/s1
Canonical SMILES:  O=C[C@@]1(C)C(=O)CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC[C@H]2[C@@]1(C)CC[C@@]1(C2=C[C@@H](CC1)C)C(=O)O)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
NPO10810 Acridocarpus vivy Species Malpighiaceae Eukaryota Madagascar rain forest PMID[15217279]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT179 Cell Line A2780 Homo sapiens IC50 = 0.7 ug/ml DrugMatrix in vivo data: Hematology

  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 NPC474474 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
0.9294 High Similarity NPC474511
0.9294 High Similarity NPC1753
0.9268 High Similarity NPC69101
0.9268 High Similarity NPC251779
0.9186 High Similarity NPC474700
0.9176 High Similarity NPC158141
0.9176 High Similarity NPC173089
0.9146 High Similarity NPC267691
0.9146 High Similarity NPC162632
0.9146 High Similarity NPC274050
0.9146 High Similarity NPC263272
0.9048 High Similarity NPC96095
0.9036 High Similarity NPC310989
0.8989 High Similarity NPC209868
0.8977 High Similarity NPC38754
0.8966 High Similarity NPC274330
0.8966 High Similarity NPC281524
0.8966 High Similarity NPC198664
0.8966 High Similarity NPC143232
0.8929 High Similarity NPC200752
0.8929 High Similarity NPC70834
0.8916 High Similarity NPC3915
0.8902 High Similarity NPC16394
0.8902 High Similarity NPC199595
0.8876 High Similarity NPC298554
0.8864 High Similarity NPC193750
0.8864 High Similarity NPC111110
0.8864 High Similarity NPC46441
0.8864 High Similarity NPC198818
0.8864 High Similarity NPC474728
0.8864 High Similarity NPC291028
0.8864 High Similarity NPC470589
0.8864 High Similarity NPC126369
0.8851 High Similarity NPC290690
0.8851 High Similarity NPC470629
0.8851 High Similarity NPC17733
0.8851 High Similarity NPC182797
0.8851 High Similarity NPC473242
0.8851 High Similarity NPC474512
0.8851 High Similarity NPC181225
0.8851 High Similarity NPC52169
0.8824 High Similarity NPC312660
0.8824 High Similarity NPC180834
0.8795 High Similarity NPC267517
0.8795 High Similarity NPC37038
0.8795 High Similarity NPC104545
0.878 High Similarity NPC110094
0.878 High Similarity NPC280654
0.878 High Similarity NPC260385
0.8778 High Similarity NPC148964
0.8778 High Similarity NPC222047
0.8764 High Similarity NPC65120
0.8764 High Similarity NPC230064
0.8764 High Similarity NPC471588
0.8764 High Similarity NPC285184
0.8764 High Similarity NPC105189
0.8764 High Similarity NPC187722
0.8764 High Similarity NPC145067
0.8764 High Similarity NPC474525
0.8764 High Similarity NPC470590
0.8764 High Similarity NPC6255
0.8764 High Similarity NPC77099
0.8764 High Similarity NPC233455
0.8764 High Similarity NPC158030
0.8764 High Similarity NPC4036
0.8764 High Similarity NPC60755
0.875 High Similarity NPC64872
0.875 High Similarity NPC130520
0.875 High Similarity NPC225585
0.875 High Similarity NPC25906
0.875 High Similarity NPC234346
0.875 High Similarity NPC127689
0.875 High Similarity NPC59263
0.875 High Similarity NPC121798
0.875 High Similarity NPC263393
0.875 High Similarity NPC290972
0.875 High Similarity NPC477973
0.875 High Similarity NPC470588
0.875 High Similarity NPC270768
0.875 High Similarity NPC61543
0.875 High Similarity NPC293048
0.8736 High Similarity NPC171203
0.8736 High Similarity NPC18064
0.8736 High Similarity NPC51700
0.8736 High Similarity NPC130577
0.8736 High Similarity NPC98442
0.8736 High Similarity NPC71507
0.8736 High Similarity NPC142415
0.8736 High Similarity NPC242468
0.8736 High Similarity NPC307426
0.8736 High Similarity NPC293564
0.8736 High Similarity NPC102683
0.8736 High Similarity NPC88716
0.8736 High Similarity NPC68160
0.8696 High Similarity NPC187933
0.869 High Similarity NPC471898
0.8675 High Similarity NPC231431
0.8667 High Similarity NPC214756
0.8667 High Similarity NPC272075
0.8667 High Similarity NPC118490
0.8667 High Similarity NPC169343
0.8667 High Similarity NPC295643
0.8667 High Similarity NPC118519
0.8667 High Similarity NPC202728
0.8667 High Similarity NPC229281
0.8667 High Similarity NPC158059
0.8659 High Similarity NPC471897
0.8659 High Similarity NPC471899
0.8659 High Similarity NPC107039
0.8652 High Similarity NPC120968
0.8652 High Similarity NPC113989
0.8652 High Similarity NPC18872
0.8652 High Similarity NPC227467
0.8652 High Similarity NPC7260
0.8652 High Similarity NPC130278
0.8652 High Similarity NPC273621
0.8652 High Similarity NPC210037
0.8652 High Similarity NPC252737
0.8652 High Similarity NPC290614
0.8652 High Similarity NPC120840
0.8652 High Similarity NPC477872
0.8636 High Similarity NPC246708
0.8636 High Similarity NPC40552
0.8621 High Similarity NPC235341
0.8621 High Similarity NPC56588
0.8621 High Similarity NPC72638
0.8621 High Similarity NPC95594
0.8621 High Similarity NPC324063
0.8621 High Similarity NPC477579
0.8602 High Similarity NPC471966
0.8587 High Similarity NPC62516
0.8587 High Similarity NPC157113
0.8571 High Similarity NPC191412
0.8571 High Similarity NPC114159
0.8571 High Similarity NPC477057
0.8571 High Similarity NPC87095
0.8571 High Similarity NPC159365
0.8571 High Similarity NPC6818
0.8571 High Similarity NPC74751
0.8571 High Similarity NPC474529
0.8556 High Similarity NPC84319
0.8556 High Similarity NPC472149
0.8556 High Similarity NPC306541
0.8556 High Similarity NPC155120
0.8556 High Similarity NPC288833
0.8556 High Similarity NPC324341
0.8556 High Similarity NPC228784
0.8556 High Similarity NPC52021
0.8556 High Similarity NPC966
0.8556 High Similarity NPC25299
0.8556 High Similarity NPC300351
0.8556 High Similarity NPC282616
0.8556 High Similarity NPC71074
0.8556 High Similarity NPC235884
0.8539 High Similarity NPC474686
0.8539 High Similarity NPC30522
0.8539 High Similarity NPC474972
0.8539 High Similarity NPC161751
0.8539 High Similarity NPC95246
0.8537 High Similarity NPC89294
0.8523 High Similarity NPC73064
0.8506 High Similarity NPC474537
0.8506 High Similarity NPC274724
0.8506 High Similarity NPC133954
0.8495 Intermediate Similarity NPC21728
0.8478 Intermediate Similarity NPC96916
0.8478 Intermediate Similarity NPC195715
0.8478 Intermediate Similarity NPC473240
0.8478 Intermediate Similarity NPC148523
0.8478 Intermediate Similarity NPC139570
0.8471 Intermediate Similarity NPC142244
0.8471 Intermediate Similarity NPC221647
0.8471 Intermediate Similarity NPC278459
0.8471 Intermediate Similarity NPC90055
0.8462 Intermediate Similarity NPC275809
0.8462 Intermediate Similarity NPC474806
0.8462 Intermediate Similarity NPC74855
0.8462 Intermediate Similarity NPC86368
0.8462 Intermediate Similarity NPC136313
0.8462 Intermediate Similarity NPC263780
0.8462 Intermediate Similarity NPC133579
0.8462 Intermediate Similarity NPC307335
0.8444 Intermediate Similarity NPC49320
0.8444 Intermediate Similarity NPC172361
0.8444 Intermediate Similarity NPC86372
0.8427 Intermediate Similarity NPC224145
0.8409 Intermediate Similarity NPC74363
0.8409 Intermediate Similarity NPC475862
0.8409 Intermediate Similarity NPC213412
0.8404 Intermediate Similarity NPC188833
0.8391 Intermediate Similarity NPC156981
0.8387 Intermediate Similarity NPC207922
0.8387 Intermediate Similarity NPC327179
0.8387 Intermediate Similarity NPC476327
0.8387 Intermediate Similarity NPC204961
0.8387 Intermediate Similarity NPC259733
0.8387 Intermediate Similarity NPC173744
0.8387 Intermediate Similarity NPC158371
0.8387 Intermediate Similarity NPC476318
0.8387 Intermediate Similarity NPC73004

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC474474 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
0.8764 High Similarity NPD7515 Phase 2
0.8571 High Similarity NPD7748 Approved
0.8333 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.8298 Intermediate Similarity NPD7902 Approved
0.8065 Intermediate Similarity NPD6399 Phase 3
0.7979 Intermediate Similarity NPD7900 Approved
0.7979 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7978 Intermediate Similarity NPD4786 Approved
0.7955 Intermediate Similarity NPD3667 Approved
0.7826 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7727 Intermediate Similarity NPD4695 Discontinued
0.7692 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7634 Intermediate Similarity NPD6672 Approved
0.7634 Intermediate Similarity NPD5737 Approved
0.7629 Intermediate Similarity NPD7614 Phase 1
0.7609 Intermediate Similarity NPD6409 Approved
0.7609 Intermediate Similarity NPD5330 Approved
0.7609 Intermediate Similarity NPD6684 Approved
0.7609 Intermediate Similarity NPD7521 Approved
0.7609 Intermediate Similarity NPD7334 Approved
0.7609 Intermediate Similarity NPD7146 Approved
0.7582 Intermediate Similarity NPD3665 Phase 1
0.7582 Intermediate Similarity NPD3666 Approved
0.7582 Intermediate Similarity NPD3133 Approved
0.7582 Intermediate Similarity NPD3668 Phase 3
0.7551 Intermediate Similarity NPD6083 Phase 2
0.7551 Intermediate Similarity NPD6084 Phase 2
0.7447 Intermediate Similarity NPD6903 Approved
0.7419 Intermediate Similarity NPD3618 Phase 1
0.7416 Intermediate Similarity NPD7645 Phase 2
0.7396 Intermediate Similarity NPD8034 Phase 2
0.7396 Intermediate Similarity NPD8035 Phase 2
0.7368 Intermediate Similarity NPD4753 Phase 2
0.7368 Intermediate Similarity NPD5328 Approved
0.7363 Intermediate Similarity NPD4221 Approved
0.7363 Intermediate Similarity NPD4223 Phase 3
0.7347 Intermediate Similarity NPD5695 Phase 3
0.7312 Intermediate Similarity NPD5329 Approved
0.73 Intermediate Similarity NPD5696 Approved
0.7273 Intermediate Similarity NPD7732 Phase 3
0.7273 Intermediate Similarity NPD4697 Phase 3
0.7234 Intermediate Similarity NPD6098 Approved
0.7216 Intermediate Similarity NPD6411 Approved
0.7216 Intermediate Similarity NPD5281 Approved
0.7216 Intermediate Similarity NPD6079 Approved
0.7216 Intermediate Similarity NPD5284 Approved
0.7204 Intermediate Similarity NPD4197 Approved
0.7188 Intermediate Similarity NPD6673 Approved
0.7188 Intermediate Similarity NPD6080 Approved
0.7188 Intermediate Similarity NPD6904 Approved
0.7158 Intermediate Similarity NPD3573 Approved
0.7111 Intermediate Similarity NPD3617 Approved
0.7097 Intermediate Similarity NPD4788 Approved
0.7053 Intermediate Similarity NPD4689 Approved
0.7053 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7053 Intermediate Similarity NPD5279 Phase 3
0.7053 Intermediate Similarity NPD5205 Approved
0.7053 Intermediate Similarity NPD4519 Discontinued
0.7053 Intermediate Similarity NPD4688 Approved
0.7053 Intermediate Similarity NPD4690 Approved
0.7053 Intermediate Similarity NPD4138 Approved
0.7053 Intermediate Similarity NPD4623 Approved
0.7053 Intermediate Similarity NPD4693 Phase 3
0.7048 Intermediate Similarity NPD6675 Approved
0.7048 Intermediate Similarity NPD6402 Approved
0.7048 Intermediate Similarity NPD7128 Approved
0.7048 Intermediate Similarity NPD5739 Approved
0.701 Intermediate Similarity NPD6101 Approved
0.701 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD4629 Approved
0.7 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD5210 Approved
0.6989 Remote Similarity NPD4752 Clinical (unspecified phase)
0.697 Remote Similarity NPD4202 Approved
0.6966 Remote Similarity NPD7339 Approved
0.6966 Remote Similarity NPD6942 Approved
0.6961 Remote Similarity NPD7638 Approved
0.6931 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6931 Remote Similarity NPD5221 Approved
0.6931 Remote Similarity NPD5222 Approved
0.6916 Remote Similarity NPD7320 Approved
0.6916 Remote Similarity NPD6899 Approved
0.6916 Remote Similarity NPD6881 Approved
0.6907 Remote Similarity NPD5208 Approved
0.6893 Remote Similarity NPD7640 Approved
0.6893 Remote Similarity NPD7639 Approved
0.6889 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6875 Remote Similarity NPD5690 Phase 2
0.6875 Remote Similarity NPD5280 Approved
0.6875 Remote Similarity NPD4694 Approved
0.6869 Remote Similarity NPD6050 Approved
0.6869 Remote Similarity NPD5693 Phase 1
0.6863 Remote Similarity NPD5173 Approved
0.6863 Remote Similarity NPD4755 Approved
0.6852 Remote Similarity NPD6373 Approved
0.6852 Remote Similarity NPD6372 Approved
0.6824 Remote Similarity NPD4224 Phase 2
0.6822 Remote Similarity NPD5701 Approved
0.6822 Remote Similarity NPD5697 Approved
0.6822 Remote Similarity NPD6412 Phase 2
0.6818 Remote Similarity NPD6081 Approved
0.6789 Remote Similarity NPD7102 Approved
0.6789 Remote Similarity NPD7290 Approved
0.6789 Remote Similarity NPD6883 Approved
0.6782 Remote Similarity NPD4137 Phase 3
0.6774 Remote Similarity NPD7525 Registered
0.6768 Remote Similarity NPD5692 Phase 3
0.6759 Remote Similarity NPD6011 Approved
0.6739 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6731 Remote Similarity NPD5285 Approved
0.6731 Remote Similarity NPD4700 Approved
0.6731 Remote Similarity NPD5286 Approved
0.6731 Remote Similarity NPD4696 Approved
0.6727 Remote Similarity NPD8130 Phase 1
0.6727 Remote Similarity NPD6649 Approved
0.6727 Remote Similarity NPD6847 Approved
0.6727 Remote Similarity NPD6617 Approved
0.6727 Remote Similarity NPD6650 Approved
0.6727 Remote Similarity NPD6869 Approved
0.6727 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6726 Remote Similarity NPD7115 Discovery
0.6705 Remote Similarity NPD4747 Approved
0.6705 Remote Similarity NPD4691 Approved
0.6703 Remote Similarity NPD6117 Approved
0.6702 Remote Similarity NPD4139 Approved
0.6702 Remote Similarity NPD4692 Approved
0.67 Remote Similarity NPD5694 Approved
0.6697 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6697 Remote Similarity NPD6014 Approved
0.6697 Remote Similarity NPD6012 Approved
0.6697 Remote Similarity NPD6013 Approved
0.6667 Remote Similarity NPD4785 Approved
0.6667 Remote Similarity NPD5223 Approved
0.6667 Remote Similarity NPD8297 Approved
0.6667 Remote Similarity NPD6882 Approved
0.6667 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4784 Approved
0.6667 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4195 Approved
0.6667 Remote Similarity NPD8328 Phase 3
0.6634 Remote Similarity NPD5779 Approved
0.6634 Remote Similarity NPD5778 Approved
0.663 Remote Similarity NPD6116 Phase 1
0.6629 Remote Similarity NPD4243 Approved
0.6604 Remote Similarity NPD5224 Approved
0.6604 Remote Similarity NPD5225 Approved
0.6604 Remote Similarity NPD5211 Phase 2
0.6604 Remote Similarity NPD5226 Approved
0.6604 Remote Similarity NPD4633 Approved
0.66 Remote Similarity NPD5207 Approved
0.6579 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6574 Remote Similarity NPD6008 Approved
0.6569 Remote Similarity NPD6001 Approved
0.6559 Remote Similarity NPD6115 Approved
0.6559 Remote Similarity NPD6697 Approved
0.6559 Remote Similarity NPD6118 Approved
0.6559 Remote Similarity NPD6114 Approved
0.6542 Remote Similarity NPD4754 Approved
0.6542 Remote Similarity NPD5174 Approved
0.6542 Remote Similarity NPD5175 Approved
0.6526 Remote Similarity NPD8028 Phase 2
0.6526 Remote Similarity NPD5369 Approved
0.6517 Remote Similarity NPD4244 Approved
0.6517 Remote Similarity NPD4245 Approved
0.6517 Remote Similarity NPD4789 Approved
0.65 Remote Similarity NPD6051 Approved
0.6491 Remote Similarity NPD6868 Approved
0.6484 Remote Similarity NPD5733 Approved
0.6484 Remote Similarity NPD6924 Approved
0.6484 Remote Similarity NPD4058 Approved
0.6484 Remote Similarity NPD6926 Approved
0.6481 Remote Similarity NPD5141 Approved
0.646 Remote Similarity NPD4632 Approved
0.6458 Remote Similarity NPD4269 Approved
0.6458 Remote Similarity NPD4270 Approved
0.6455 Remote Similarity NPD6686 Approved
0.6444 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6444 Remote Similarity NPD5777 Approved
0.6444 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6437 Remote Similarity NPD7331 Phase 2
0.6436 Remote Similarity NPD4096 Approved
0.6429 Remote Similarity NPD1694 Approved
0.6422 Remote Similarity NPD4767 Approved
0.6422 Remote Similarity NPD4768 Approved
0.6421 Remote Similarity NPD5368 Approved
0.6421 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6415 Remote Similarity NPD6404 Discontinued
0.6413 Remote Similarity NPD8039 Approved
0.6404 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6404 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6404 Remote Similarity NPD3698 Phase 2
0.64 Remote Similarity NPD4518 Approved
0.6392 Remote Similarity NPD5362 Discontinued
0.6389 Remote Similarity NPD6052 Approved
0.6379 Remote Similarity NPD6335 Approved
0.6373 Remote Similarity NPD7637 Suspended
0.6348 Remote Similarity NPD6274 Approved
0.6346 Remote Similarity NPD5654 Approved
0.6344 Remote Similarity NPD6933 Approved
0.6325 Remote Similarity NPD7101 Approved

Structure

External Identifiers

PubChem CID   44559545
ChEMBL   CHEMBL469642
ZINC  

Physicochemical Properties

Molecular Weight:  454.31
ALogP:  1.4051
MLogP:  4.21
XLogP:  8.444
# Rotatable Bonds:  8
Polar Surface Area:  71.44
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  33

Download Data

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