Natural Product: NPC300985

Natural Product ID:  NPC300985
Common Name:   Armatin E
IUPAC Name:   (1S,2R,3aS,9S,9aS,9bR)-2-methoxy-1,9,9a-trimethyl-1,2,3a,4,5,8,9,9b-octahydrobenzo[e][1]benzofuran-7-one
Synonyms:   Armatin E
Molecular Formula:   C16H24O3
Standard InCHIKey:  ZZZNNZMJLVBNDZ-ZAXXHLPPSA-N
Standard InCHI:  InChI=1S/C16H24O3/c1-9-7-12(17)8-11-5-6-13-14(16(9,11)3)10(2)15(18-4)19-13/h8-10,13-15H,5-7H2,1-4H3/t9-,10-,13-,14-,15+,16+/m0/s1
Canonical SMILES:  CO[C@@H]1O[C@@H]2[C@H]([C@@H]1C)[C@]1(C)[C@@H](C)CC(=O)C=C1CC2
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
NPO21076 Nephthea armata Species Nephtheidae Eukaryota Taiwan PMID[15387641]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT168 Cell Line P388 Mus musculus IC50 > 50000 nM 19265396
NPT81 Cell Line A549 Homo sapiens IC50 > 50000 nM 23327668
NPT139 Cell Line HT-29 Homo sapiens IC50 > 50000 nM 23327668

  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 NPC300985 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
0.878 High Similarity NPC475665
0.8554 High Similarity NPC149237
0.8316 Intermediate Similarity NPC471364
0.8316 Intermediate Similarity NPC132395
0.8316 Intermediate Similarity NPC471365
0.8256 Intermediate Similarity NPC469569
0.8222 Intermediate Similarity NPC65513
0.8202 Intermediate Similarity NPC50070
0.8202 Intermediate Similarity NPC174765
0.8152 Intermediate Similarity NPC473369
0.809 Intermediate Similarity NPC215831
0.8065 Intermediate Similarity NPC112654
0.8023 Intermediate Similarity NPC122945
0.8023 Intermediate Similarity NPC109938
0.8022 Intermediate Similarity NPC179517
0.8022 Intermediate Similarity NPC165904
0.8 Intermediate Similarity NPC73995
0.7979 Intermediate Similarity NPC187159
0.7976 Intermediate Similarity NPC35574
0.7957 Intermediate Similarity NPC108141
0.7955 Intermediate Similarity NPC323765
0.7935 Intermediate Similarity NPC471571
0.7912 Intermediate Similarity NPC328935
0.7912 Intermediate Similarity NPC152467
0.7912 Intermediate Similarity NPC327183
0.7889 Intermediate Similarity NPC474845
0.7889 Intermediate Similarity NPC477128
0.7882 Intermediate Similarity NPC476177
0.7872 Intermediate Similarity NPC73858
0.7865 Intermediate Similarity NPC195640
0.7865 Intermediate Similarity NPC6979
0.7857 Intermediate Similarity NPC197659
0.7857 Intermediate Similarity NPC472300
0.7849 Intermediate Similarity NPC477130
0.7849 Intermediate Similarity NPC477129
0.7841 Intermediate Similarity NPC71626
0.7841 Intermediate Similarity NPC139566
0.7826 Intermediate Similarity NPC474631
0.7816 Intermediate Similarity NPC70479
0.7816 Intermediate Similarity NPC470813
0.7791 Intermediate Similarity NPC206062
0.7789 Intermediate Similarity NPC204054
0.7789 Intermediate Similarity NPC257726
0.7778 Intermediate Similarity NPC38885
0.7753 Intermediate Similarity NPC177932
0.7753 Intermediate Similarity NPC52628
0.7753 Intermediate Similarity NPC189311
0.7753 Intermediate Similarity NPC476678
0.7753 Intermediate Similarity NPC470574
0.7742 Intermediate Similarity NPC166346
0.7732 Intermediate Similarity NPC473384
0.7727 Intermediate Similarity NPC193198
0.7727 Intermediate Similarity NPC470948
0.7723 Intermediate Similarity NPC112457
0.7717 Intermediate Similarity NPC474842
0.7717 Intermediate Similarity NPC475965
0.7717 Intermediate Similarity NPC8062
0.7708 Intermediate Similarity NPC56071
0.7708 Intermediate Similarity NPC70733
0.7708 Intermediate Similarity NPC473154
0.7692 Intermediate Similarity NPC226863
0.7684 Intermediate Similarity NPC311166
0.7677 Intermediate Similarity NPC222161
0.7674 Intermediate Similarity NPC308038
0.7667 Intermediate Similarity NPC244174
0.766 Intermediate Similarity NPC474554
0.764 Intermediate Similarity NPC100391
0.764 Intermediate Similarity NPC30486
0.7634 Intermediate Similarity NPC233345
0.7634 Intermediate Similarity NPC186363
0.7629 Intermediate Similarity NPC470761
0.7629 Intermediate Similarity NPC473219
0.7624 Intermediate Similarity NPC469844
0.7624 Intermediate Similarity NPC473288
0.7614 Intermediate Similarity NPC178676
0.7614 Intermediate Similarity NPC163236
0.7609 Intermediate Similarity NPC251528
0.7604 Intermediate Similarity NPC226986
0.7604 Intermediate Similarity NPC76266
0.7604 Intermediate Similarity NPC472188
0.76 Intermediate Similarity NPC127790
0.7586 Intermediate Similarity NPC473685
0.7586 Intermediate Similarity NPC172013
0.7582 Intermediate Similarity NPC471728
0.7579 Intermediate Similarity NPC316215
0.7556 Intermediate Similarity NPC472442
0.7556 Intermediate Similarity NPC110405
0.7556 Intermediate Similarity NPC470223
0.7553 Intermediate Similarity NPC277721
0.7553 Intermediate Similarity NPC79117
0.7553 Intermediate Similarity NPC267266
0.7551 Intermediate Similarity NPC472643
0.7529 Intermediate Similarity NPC263582
0.7529 Intermediate Similarity NPC41017
0.7529 Intermediate Similarity NPC92489
0.7528 Intermediate Similarity NPC22611
0.7528 Intermediate Similarity NPC472440
0.7528 Intermediate Similarity NPC64600
0.7527 Intermediate Similarity NPC469595
0.7527 Intermediate Similarity NPC477782
0.7527 Intermediate Similarity NPC212679
0.7527 Intermediate Similarity NPC220454
0.7527 Intermediate Similarity NPC328141
0.7526 Intermediate Similarity NPC472186
0.7526 Intermediate Similarity NPC476800
0.7526 Intermediate Similarity NPC471366
0.7526 Intermediate Similarity NPC318917
0.7526 Intermediate Similarity NPC176845
0.7525 Intermediate Similarity NPC293512
0.75 Intermediate Similarity NPC167049
0.75 Intermediate Similarity NPC475951
0.75 Intermediate Similarity NPC469691
0.75 Intermediate Similarity NPC28227
0.75 Intermediate Similarity NPC471722
0.75 Intermediate Similarity NPC100955
0.75 Intermediate Similarity NPC196407
0.75 Intermediate Similarity NPC473420
0.75 Intermediate Similarity NPC17578
0.75 Intermediate Similarity NPC240673
0.75 Intermediate Similarity NPC121566
0.75 Intermediate Similarity NPC328539
0.7476 Intermediate Similarity NPC163314
0.7475 Intermediate Similarity NPC134077
0.7475 Intermediate Similarity NPC223834
0.7474 Intermediate Similarity NPC38830
0.7474 Intermediate Similarity NPC56525
0.7474 Intermediate Similarity NPC473431
0.7474 Intermediate Similarity NPC470697
0.7474 Intermediate Similarity NPC473435
0.7474 Intermediate Similarity NPC471078
0.7474 Intermediate Similarity NPC473280
0.7474 Intermediate Similarity NPC88507
0.7474 Intermediate Similarity NPC74751
0.7474 Intermediate Similarity NPC84893
0.7473 Intermediate Similarity NPC325594
0.7473 Intermediate Similarity NPC10005
0.7473 Intermediate Similarity NPC329943
0.7473 Intermediate Similarity NPC91525
0.7473 Intermediate Similarity NPC472986
0.7473 Intermediate Similarity NPC472985
0.7473 Intermediate Similarity NPC470050
0.7473 Intermediate Similarity NPC470051
0.7473 Intermediate Similarity NPC9892
0.7473 Intermediate Similarity NPC198761
0.7473 Intermediate Similarity NPC220478
0.7473 Intermediate Similarity NPC72133
0.7471 Intermediate Similarity NPC229204
0.7451 Intermediate Similarity NPC272576
0.7449 Intermediate Similarity NPC472644
0.7449 Intermediate Similarity NPC472187
0.7449 Intermediate Similarity NPC473545
0.7449 Intermediate Similarity NPC473204
0.7447 Intermediate Similarity NPC252433
0.7447 Intermediate Similarity NPC324157
0.7447 Intermediate Similarity NPC141831
0.7447 Intermediate Similarity NPC49420
0.7447 Intermediate Similarity NPC190442
0.7447 Intermediate Similarity NPC473944
0.7447 Intermediate Similarity NPC218301
0.7447 Intermediate Similarity NPC477783
0.7444 Intermediate Similarity NPC58841
0.7444 Intermediate Similarity NPC473246
0.7444 Intermediate Similarity NPC321187
0.7444 Intermediate Similarity NPC161423
0.7444 Intermediate Similarity NPC329043
0.7444 Intermediate Similarity NPC227064
0.7444 Intermediate Similarity NPC214043
0.7444 Intermediate Similarity NPC85774
0.7442 Intermediate Similarity NPC165711
0.7429 Intermediate Similarity NPC260665
0.7429 Intermediate Similarity NPC157441
0.7426 Intermediate Similarity NPC95243
0.7426 Intermediate Similarity NPC252296
0.7426 Intermediate Similarity NPC63023
0.7423 Intermediate Similarity NPC23680
0.7423 Intermediate Similarity NPC38530
0.7423 Intermediate Similarity NPC475709
0.7423 Intermediate Similarity NPC84335
0.7423 Intermediate Similarity NPC292133
0.7419 Intermediate Similarity NPC119416
0.7419 Intermediate Similarity NPC173042
0.7419 Intermediate Similarity NPC5509
0.7419 Intermediate Similarity NPC293044
0.7419 Intermediate Similarity NPC474679
0.7419 Intermediate Similarity NPC470819
0.7419 Intermediate Similarity NPC284561
0.7419 Intermediate Similarity NPC472983
0.7419 Intermediate Similarity NPC275740
0.7419 Intermediate Similarity NPC86319
0.7416 Intermediate Similarity NPC48362
0.7416 Intermediate Similarity NPC200513
0.7416 Intermediate Similarity NPC93590
0.7412 Intermediate Similarity NPC469669
0.7412 Intermediate Similarity NPC469678
0.7412 Intermediate Similarity NPC114236
0.7412 Intermediate Similarity NPC475771
0.7396 Intermediate Similarity NPC274417
0.7396 Intermediate Similarity NPC183012
0.7396 Intermediate Similarity NPC472189
0.7396 Intermediate Similarity NPC13924

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC300985 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
0.7865 Intermediate Similarity NPD6684 Approved
0.7865 Intermediate Similarity NPD5330 Approved
0.7865 Intermediate Similarity NPD7521 Approved
0.7865 Intermediate Similarity NPD7334 Approved
0.7865 Intermediate Similarity NPD6409 Approved
0.7865 Intermediate Similarity NPD7146 Approved
0.7753 Intermediate Similarity NPD1694 Approved
0.7692 Intermediate Similarity NPD6903 Approved
0.7692 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7667 Intermediate Similarity NPD3618 Phase 1
0.766 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.766 Intermediate Similarity NPD7900 Approved
0.7525 Intermediate Similarity NPD6412 Phase 2
0.75 Intermediate Similarity NPD5737 Approved
0.75 Intermediate Similarity NPD6672 Approved
0.7474 Intermediate Similarity NPD7748 Approved
0.7444 Intermediate Similarity NPD3665 Phase 1
0.7444 Intermediate Similarity NPD3666 Approved
0.7444 Intermediate Similarity NPD3133 Approved
0.7423 Intermediate Similarity NPD7902 Approved
0.7419 Intermediate Similarity NPD5328 Approved
0.7416 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7396 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD3573 Approved
0.7368 Intermediate Similarity NPD4202 Approved
0.7292 Intermediate Similarity NPD6001 Approved
0.7283 Intermediate Similarity NPD5279 Phase 3
0.7263 Intermediate Similarity NPD7515 Phase 2
0.7263 Intermediate Similarity NPD6079 Approved
0.7255 Intermediate Similarity NPD6008 Approved
0.7222 Intermediate Similarity NPD3667 Approved
0.7188 Intermediate Similarity NPD6399 Phase 3
0.717 Intermediate Similarity NPD6882 Approved
0.7158 Intermediate Similarity NPD5207 Approved
0.7128 Intermediate Similarity NPD5208 Approved
0.7115 Intermediate Similarity NPD6686 Approved
0.7087 Intermediate Similarity NPD6402 Approved
0.7087 Intermediate Similarity NPD5739 Approved
0.7087 Intermediate Similarity NPD6675 Approved
0.7087 Intermediate Similarity NPD7128 Approved
0.7071 Intermediate Similarity NPD4755 Approved
0.7065 Intermediate Similarity NPD4786 Approved
0.7065 Intermediate Similarity NPD3668 Phase 3
0.7054 Intermediate Similarity NPD6370 Approved
0.7053 Intermediate Similarity NPD6904 Approved
0.7053 Intermediate Similarity NPD6080 Approved
0.7053 Intermediate Similarity NPD6673 Approved
0.7041 Intermediate Similarity NPD5695 Phase 3
0.7033 Intermediate Similarity NPD4223 Phase 3
0.7033 Intermediate Similarity NPD4221 Approved
0.7024 Intermediate Similarity NPD4137 Phase 3
0.7019 Intermediate Similarity NPD5701 Approved
0.7019 Intermediate Similarity NPD5697 Approved
0.7 Intermediate Similarity NPD4695 Discontinued
0.6991 Remote Similarity NPD6067 Discontinued
0.6979 Remote Similarity NPD5692 Phase 3
0.697 Remote Similarity NPD5220 Clinical (unspecified phase)
0.697 Remote Similarity NPD5222 Approved
0.697 Remote Similarity NPD5221 Approved
0.697 Remote Similarity NPD4697 Phase 3
0.6952 Remote Similarity NPD6881 Approved
0.6952 Remote Similarity NPD7320 Approved
0.6952 Remote Similarity NPD6011 Approved
0.6952 Remote Similarity NPD6899 Approved
0.6941 Remote Similarity NPD4691 Approved
0.6941 Remote Similarity NPD4747 Approved
0.6931 Remote Similarity NPD4696 Approved
0.6931 Remote Similarity NPD5286 Approved
0.6931 Remote Similarity NPD4700 Approved
0.6931 Remote Similarity NPD5285 Approved
0.6915 Remote Similarity NPD6098 Approved
0.6915 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6907 Remote Similarity NPD5693 Phase 1
0.6907 Remote Similarity NPD6050 Approved
0.6907 Remote Similarity NPD5694 Approved
0.69 Remote Similarity NPD6083 Phase 2
0.69 Remote Similarity NPD5173 Approved
0.69 Remote Similarity NPD6084 Phase 2
0.6887 Remote Similarity NPD6013 Approved
0.6887 Remote Similarity NPD6012 Approved
0.6887 Remote Similarity NPD6014 Approved
0.6887 Remote Similarity NPD6373 Approved
0.6887 Remote Similarity NPD6372 Approved
0.6882 Remote Similarity NPD4197 Approved
0.6875 Remote Similarity NPD4753 Phase 2
0.6875 Remote Similarity NPD6059 Approved
0.6875 Remote Similarity NPD6054 Approved
0.6863 Remote Similarity NPD5223 Approved
0.686 Remote Similarity NPD5276 Approved
0.6832 Remote Similarity NPD5696 Approved
0.6822 Remote Similarity NPD7290 Approved
0.6822 Remote Similarity NPD6883 Approved
0.6822 Remote Similarity NPD7102 Approved
0.6814 Remote Similarity NPD6016 Approved
0.6814 Remote Similarity NPD6015 Approved
0.681 Remote Similarity NPD8293 Discontinued
0.6809 Remote Similarity NPD5329 Approved
0.6796 Remote Similarity NPD5226 Approved
0.6796 Remote Similarity NPD5211 Phase 2
0.6796 Remote Similarity NPD4633 Approved
0.6796 Remote Similarity NPD5224 Approved
0.6796 Remote Similarity NPD5225 Approved
0.6778 Remote Similarity NPD3617 Approved
0.6759 Remote Similarity NPD6649 Approved
0.6759 Remote Similarity NPD6847 Approved
0.6759 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6759 Remote Similarity NPD6617 Approved
0.6759 Remote Similarity NPD6650 Approved
0.6759 Remote Similarity NPD8130 Phase 1
0.6759 Remote Similarity NPD6869 Approved
0.6757 Remote Similarity NPD6009 Approved
0.6754 Remote Similarity NPD5988 Approved
0.6752 Remote Similarity NPD7736 Approved
0.6737 Remote Similarity NPD4694 Approved
0.6737 Remote Similarity NPD5205 Approved
0.6737 Remote Similarity NPD4693 Phase 3
0.6737 Remote Similarity NPD5690 Phase 2
0.6737 Remote Similarity NPD4519 Discontinued
0.6737 Remote Similarity NPD4689 Approved
0.6737 Remote Similarity NPD4688 Approved
0.6737 Remote Similarity NPD4138 Approved
0.6737 Remote Similarity NPD5280 Approved
0.6737 Remote Similarity NPD4623 Approved
0.6737 Remote Similarity NPD4690 Approved
0.6735 Remote Similarity NPD5281 Approved
0.6735 Remote Similarity NPD5284 Approved
0.6731 Remote Similarity NPD4754 Approved
0.6731 Remote Similarity NPD5174 Approved
0.6731 Remote Similarity NPD5175 Approved
0.6729 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6705 Remote Similarity NPD4687 Approved
0.6705 Remote Similarity NPD4058 Approved
0.6705 Remote Similarity NPD5733 Approved
0.6697 Remote Similarity NPD8297 Approved
0.6696 Remote Similarity NPD8328 Phase 3
0.6667 Remote Similarity NPD7638 Approved
0.6667 Remote Similarity NPD4225 Approved
0.6667 Remote Similarity NPD5141 Approved
0.6638 Remote Similarity NPD7492 Approved
0.6604 Remote Similarity NPD4768 Approved
0.6604 Remote Similarity NPD4767 Approved
0.6602 Remote Similarity NPD7640 Approved
0.6602 Remote Similarity NPD7639 Approved
0.66 Remote Similarity NPD5282 Discontinued
0.6581 Remote Similarity NPD6616 Approved
0.6566 Remote Similarity NPD6411 Approved
0.6566 Remote Similarity NPD8034 Phase 2
0.6566 Remote Similarity NPD8035 Phase 2
0.6535 Remote Similarity NPD4629 Approved
0.6535 Remote Similarity NPD5654 Approved
0.6535 Remote Similarity NPD5210 Approved
0.6525 Remote Similarity NPD7078 Approved
0.6518 Remote Similarity NPD6274 Approved
0.6512 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6486 Remote Similarity NPD4632 Approved
0.6481 Remote Similarity NPD4729 Approved
0.6481 Remote Similarity NPD5128 Approved
0.6481 Remote Similarity NPD4730 Approved
0.6471 Remote Similarity NPD6033 Approved
0.6465 Remote Similarity NPD4096 Approved
0.646 Remote Similarity NPD6317 Approved
0.6458 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6444 Remote Similarity NPD8039 Approved
0.6441 Remote Similarity NPD7507 Approved
0.6415 Remote Similarity NPD6052 Approved
0.6408 Remote Similarity NPD5959 Approved
0.6404 Remote Similarity NPD6313 Approved
0.6404 Remote Similarity NPD6335 Approved
0.6404 Remote Similarity NPD6314 Approved
0.6389 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6379 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6373 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6372 Remote Similarity NPD6868 Approved
0.6364 Remote Similarity NPD5249 Phase 3
0.6364 Remote Similarity NPD5248 Approved
0.6364 Remote Similarity NPD5251 Approved
0.6364 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6364 Remote Similarity NPD5169 Approved
0.6364 Remote Similarity NPD4634 Approved
0.6364 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6364 Remote Similarity NPD5135 Approved
0.6364 Remote Similarity NPD6101 Approved
0.6364 Remote Similarity NPD5250 Approved
0.6364 Remote Similarity NPD5247 Approved
0.6364 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6354 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6348 Remote Similarity NPD7100 Approved
0.6348 Remote Similarity NPD7101 Approved
0.6344 Remote Similarity NPD4195 Approved
0.6344 Remote Similarity NPD7645 Phase 2
0.633 Remote Similarity NPD5168 Approved
0.6316 Remote Similarity NPD7115 Discovery
0.6311 Remote Similarity NPD7732 Phase 3
0.6306 Remote Similarity NPD5215 Approved
0.6306 Remote Similarity NPD5127 Approved
0.6306 Remote Similarity NPD5216 Approved
0.6306 Remote Similarity NPD5217 Approved
0.6293 Remote Similarity NPD6319 Approved
0.6281 Remote Similarity NPD7319 Approved
0.6279 Remote Similarity NPD7331 Phase 2

Structure

External Identifiers

PubChem CID   11357545
ChEMBL   CHEMBL454540
ZINC  

Physicochemical Properties

Molecular Weight:  264.17
ALogP:  0.0915
MLogP:  2.89
XLogP:  1.722
# Rotatable Bonds:  5
Polar Surface Area:  35.53
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  19

Download Data

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