Natural Product: NPC163020

Natural Product ID:  NPC163020
Common Name:   Chlorantene G
IUPAC Name:   (2R,4aR,8aS)-2-hydroxy-4a-methyl-8-methylidene-2-propan-2-yl-3,4,5,6,7,8a-hexahydronaphthalen-1-one
Synonyms:   Chlorantene G
Molecular Formula:   C15H24O2
Standard InCHIKey:  CGBPJGAERNQIPQ-BPLDGKMQSA-N
Standard InCHI:  InChI=1S/C15H24O2/c1-10(2)15(17)9-8-14(4)7-5-6-11(3)12(14)13(15)16/h10,12,17H,3,5-9H2,1-2,4H3/t12-,14-,15-/m1/s1
Canonical SMILES:  C=C1CCC[C@]2([C@H]1C(=O)[C@@](O)(CC2)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
NPO21178 Chloranthus serratus Species Chloranthaceae Eukaryota PMID[19053511]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT452 Organism Helicobacter pylori SS1 Helicobacter pylori SS1 MIC = 25 ug/ml 22620677

  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 NPC163020 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
0.9385 High Similarity NPC103734
0.875 High Similarity NPC78935
0.8676 High Similarity NPC263161
0.8514 High Similarity NPC476808
0.8472 Intermediate Similarity NPC162164
0.8472 Intermediate Similarity NPC38426
0.8421 Intermediate Similarity NPC328264
0.8378 Intermediate Similarity NPC257666
0.8378 Intermediate Similarity NPC266193
0.8356 Intermediate Similarity NPC39362
0.8289 Intermediate Similarity NPC476809
0.8182 Intermediate Similarity NPC473217
0.8133 Intermediate Similarity NPC476811
0.8101 Intermediate Similarity NPC474233
0.8077 Intermediate Similarity NPC48362
0.8056 Intermediate Similarity NPC235586
0.8052 Intermediate Similarity NPC164999
0.803 Intermediate Similarity NPC474769
0.803 Intermediate Similarity NPC189290
0.8028 Intermediate Similarity NPC36616
0.8028 Intermediate Similarity NPC290445
0.8 Intermediate Similarity NPC104806
0.8 Intermediate Similarity NPC472305
0.8 Intermediate Similarity NPC264779
0.8 Intermediate Similarity NPC186554
0.8 Intermediate Similarity NPC76966
0.8 Intermediate Similarity NPC20466
0.7973 Intermediate Similarity NPC46610
0.7973 Intermediate Similarity NPC18819
0.7949 Intermediate Similarity NPC164210
0.7922 Intermediate Similarity NPC215843
0.7922 Intermediate Similarity NPC263951
0.7917 Intermediate Similarity NPC475952
0.7901 Intermediate Similarity NPC34190
0.7895 Intermediate Similarity NPC66105
0.7895 Intermediate Similarity NPC472746
0.7895 Intermediate Similarity NPC474433
0.7895 Intermediate Similarity NPC471035
0.7895 Intermediate Similarity NPC212661
0.7895 Intermediate Similarity NPC106078
0.7875 Intermediate Similarity NPC251170
0.7875 Intermediate Similarity NPC144258
0.7838 Intermediate Similarity NPC161187
0.7838 Intermediate Similarity NPC177826
0.7838 Intermediate Similarity NPC244708
0.7838 Intermediate Similarity NPC472813
0.7838 Intermediate Similarity NPC330659
0.7838 Intermediate Similarity NPC36310
0.7821 Intermediate Similarity NPC469637
0.7821 Intermediate Similarity NPC108955
0.7808 Intermediate Similarity NPC91369
0.7792 Intermediate Similarity NPC275494
0.7792 Intermediate Similarity NPC471409
0.7792 Intermediate Similarity NPC321690
0.7792 Intermediate Similarity NPC207772
0.7763 Intermediate Similarity NPC92080
0.775 Intermediate Similarity NPC53733
0.775 Intermediate Similarity NPC471036
0.775 Intermediate Similarity NPC475726
0.775 Intermediate Similarity NPC64600
0.775 Intermediate Similarity NPC472743
0.775 Intermediate Similarity NPC243347
0.775 Intermediate Similarity NPC291320
0.7738 Intermediate Similarity NPC46758
0.7733 Intermediate Similarity NPC199316
0.7733 Intermediate Similarity NPC102313
0.7722 Intermediate Similarity NPC226068
0.7722 Intermediate Similarity NPC55869
0.7714 Intermediate Similarity NPC101128
0.7711 Intermediate Similarity NPC163296
0.7703 Intermediate Similarity NPC84790
0.7703 Intermediate Similarity NPC72343
0.7692 Intermediate Similarity NPC201459
0.7692 Intermediate Similarity NPC192744
0.7692 Intermediate Similarity NPC192329
0.7692 Intermediate Similarity NPC231431
0.7692 Intermediate Similarity NPC170394
0.7683 Intermediate Similarity NPC94666
0.7683 Intermediate Similarity NPC20688
0.7683 Intermediate Similarity NPC179591
0.7683 Intermediate Similarity NPC51014
0.7662 Intermediate Similarity NPC34110
0.7662 Intermediate Similarity NPC149249
0.7662 Intermediate Similarity NPC197659
0.7662 Intermediate Similarity NPC165711
0.7654 Intermediate Similarity NPC474482
0.7654 Intermediate Similarity NPC146683
0.7654 Intermediate Similarity NPC130966
0.7654 Intermediate Similarity NPC475745
0.7654 Intermediate Similarity NPC237712
0.7639 Intermediate Similarity NPC185874
0.7639 Intermediate Similarity NPC253303
0.7639 Intermediate Similarity NPC269077
0.7639 Intermediate Similarity NPC139207
0.7632 Intermediate Similarity NPC279666
0.7632 Intermediate Similarity NPC192540
0.7625 Intermediate Similarity NPC151519
0.7625 Intermediate Similarity NPC145143
0.7625 Intermediate Similarity NPC193347
0.7625 Intermediate Similarity NPC110780
0.7619 Intermediate Similarity NPC68148
0.7619 Intermediate Similarity NPC76879
0.7619 Intermediate Similarity NPC65615
0.7619 Intermediate Similarity NPC474245
0.7606 Intermediate Similarity NPC64123
0.7606 Intermediate Similarity NPC19311
0.7606 Intermediate Similarity NPC258595
0.7606 Intermediate Similarity NPC230047
0.76 Intermediate Similarity NPC247586
0.7595 Intermediate Similarity NPC2482
0.7595 Intermediate Similarity NPC18955
0.7595 Intermediate Similarity NPC37038
0.7564 Intermediate Similarity NPC321514
0.7564 Intermediate Similarity NPC253561
0.7564 Intermediate Similarity NPC178852
0.7564 Intermediate Similarity NPC179028
0.7564 Intermediate Similarity NPC30321
0.7564 Intermediate Similarity NPC476810
0.7564 Intermediate Similarity NPC80088
0.7561 Intermediate Similarity NPC471034
0.7561 Intermediate Similarity NPC241512
0.7561 Intermediate Similarity NPC6185
0.7561 Intermediate Similarity NPC190704
0.7561 Intermediate Similarity NPC469993
0.7561 Intermediate Similarity NPC76518
0.7561 Intermediate Similarity NPC292553
0.7561 Intermediate Similarity NPC133954
0.7536 Intermediate Similarity NPC40206
0.7534 Intermediate Similarity NPC245795
0.7534 Intermediate Similarity NPC244790
0.7534 Intermediate Similarity NPC276616
0.7532 Intermediate Similarity NPC198473
0.7532 Intermediate Similarity NPC69143
0.7532 Intermediate Similarity NPC246445
0.7532 Intermediate Similarity NPC263582
0.7532 Intermediate Similarity NPC180886
0.7532 Intermediate Similarity NPC89294
0.7532 Intermediate Similarity NPC7629
0.7532 Intermediate Similarity NPC151622
0.7532 Intermediate Similarity NPC92489
0.7531 Intermediate Similarity NPC118800
0.7531 Intermediate Similarity NPC105803
0.7531 Intermediate Similarity NPC107253
0.7529 Intermediate Similarity NPC475823
0.7529 Intermediate Similarity NPC474209
0.7529 Intermediate Similarity NPC46441
0.75 Intermediate Similarity NPC103958
0.75 Intermediate Similarity NPC283908
0.75 Intermediate Similarity NPC255168
0.75 Intermediate Similarity NPC471898
0.75 Intermediate Similarity NPC183503
0.75 Intermediate Similarity NPC142244
0.75 Intermediate Similarity NPC251970
0.75 Intermediate Similarity NPC278459
0.75 Intermediate Similarity NPC20096
0.75 Intermediate Similarity NPC241854
0.75 Intermediate Similarity NPC147066
0.75 Intermediate Similarity NPC223330
0.75 Intermediate Similarity NPC476046
0.75 Intermediate Similarity NPC474484
0.75 Intermediate Similarity NPC237591
0.75 Intermediate Similarity NPC22134
0.75 Intermediate Similarity NPC225515
0.75 Intermediate Similarity NPC48673
0.75 Intermediate Similarity NPC161923
0.75 Intermediate Similarity NPC274050
0.75 Intermediate Similarity NPC473420
0.75 Intermediate Similarity NPC3915
0.75 Intermediate Similarity NPC103754
0.75 Intermediate Similarity NPC3753
0.75 Intermediate Similarity NPC263272
0.75 Intermediate Similarity NPC48107
0.75 Intermediate Similarity NPC232625
0.75 Intermediate Similarity NPC209318
0.75 Intermediate Similarity NPC193360
0.75 Intermediate Similarity NPC267691
0.75 Intermediate Similarity NPC121984
0.75 Intermediate Similarity NPC14151
0.75 Intermediate Similarity NPC470299
0.75 Intermediate Similarity NPC162632
0.7471 Intermediate Similarity NPC293086
0.747 Intermediate Similarity NPC213412
0.747 Intermediate Similarity NPC73038
0.747 Intermediate Similarity NPC327115
0.747 Intermediate Similarity NPC158393
0.747 Intermediate Similarity NPC472738
0.747 Intermediate Similarity NPC475862
0.747 Intermediate Similarity NPC74363
0.7468 Intermediate Similarity NPC474113
0.7468 Intermediate Similarity NPC477371
0.7468 Intermediate Similarity NPC308038
0.7468 Intermediate Similarity NPC476812
0.7467 Intermediate Similarity NPC160817
0.7465 Intermediate Similarity NPC144650
0.7465 Intermediate Similarity NPC68656
0.7463 Intermediate Similarity NPC39068
0.7442 Intermediate Similarity NPC474525
0.7442 Intermediate Similarity NPC185936
0.7442 Intermediate Similarity NPC198054
0.7442 Intermediate Similarity NPC168027

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC163020 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
0.7875 Intermediate Similarity NPD4197 Approved
0.7821 Intermediate Similarity NPD4695 Discontinued
0.7792 Intermediate Similarity NPD3617 Approved
0.7778 Intermediate Similarity NPD5329 Approved
0.7625 Intermediate Similarity NPD4223 Phase 3
0.7625 Intermediate Similarity NPD3667 Approved
0.7625 Intermediate Similarity NPD4221 Approved
0.7534 Intermediate Similarity NPD5360 Phase 3
0.7534 Intermediate Similarity NPD5361 Clinical (unspecified phase)
0.7531 Intermediate Similarity NPD4788 Approved
0.747 Intermediate Similarity NPD5690 Phase 2
0.747 Intermediate Similarity NPD5280 Approved
0.747 Intermediate Similarity NPD3618 Phase 1
0.747 Intermediate Similarity NPD4694 Approved
0.7439 Intermediate Similarity NPD4786 Approved
0.7412 Intermediate Similarity NPD4753 Phase 2
0.7349 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7262 Intermediate Similarity NPD4623 Approved
0.7262 Intermediate Similarity NPD5205 Approved
0.7262 Intermediate Similarity NPD4688 Approved
0.7262 Intermediate Similarity NPD4693 Phase 3
0.7262 Intermediate Similarity NPD4690 Approved
0.7262 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7262 Intermediate Similarity NPD4519 Discontinued
0.7262 Intermediate Similarity NPD4689 Approved
0.7262 Intermediate Similarity NPD4138 Approved
0.7237 Intermediate Similarity NPD4758 Discontinued
0.7229 Intermediate Similarity NPD3665 Phase 1
0.7229 Intermediate Similarity NPD3666 Approved
0.7229 Intermediate Similarity NPD3133 Approved
0.7222 Intermediate Similarity NPD4755 Approved
0.7209 Intermediate Similarity NPD5328 Approved
0.72 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.7159 Intermediate Similarity NPD4202 Approved
0.7123 Intermediate Similarity NPD3171 Clinical (unspecified phase)
0.7111 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7111 Intermediate Similarity NPD5221 Approved
0.7111 Intermediate Similarity NPD5222 Approved
0.7111 Intermediate Similarity NPD4697 Phase 3
0.7105 Intermediate Similarity NPD4789 Approved
0.7073 Intermediate Similarity NPD4139 Approved
0.7073 Intermediate Similarity NPD4692 Approved
0.7065 Intermediate Similarity NPD5286 Approved
0.7065 Intermediate Similarity NPD5285 Approved
0.7065 Intermediate Similarity NPD4696 Approved
0.7065 Intermediate Similarity NPD4700 Approved
0.7059 Intermediate Similarity NPD5279 Phase 3
0.7059 Intermediate Similarity NPD6098 Approved
0.7045 Intermediate Similarity NPD7515 Phase 2
0.7045 Intermediate Similarity NPD6079 Approved
0.7033 Intermediate Similarity NPD5173 Approved
0.7027 Intermediate Similarity NPD4224 Phase 2
0.7024 Intermediate Similarity NPD3668 Phase 3
0.7013 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7013 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.7011 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD5210 Approved
0.7 Intermediate Similarity NPD4629 Approved
0.6989 Remote Similarity NPD5223 Approved
0.6977 Remote Similarity NPD3573 Approved
0.6915 Remote Similarity NPD5224 Approved
0.6915 Remote Similarity NPD5226 Approved
0.6915 Remote Similarity NPD5211 Phase 2
0.6915 Remote Similarity NPD4633 Approved
0.6915 Remote Similarity NPD5225 Approved
0.6889 Remote Similarity NPD7748 Approved
0.6854 Remote Similarity NPD8035 Phase 2
0.6854 Remote Similarity NPD8034 Phase 2
0.6848 Remote Similarity NPD6084 Phase 2
0.6848 Remote Similarity NPD6083 Phase 2
0.6842 Remote Similarity NPD5175 Approved
0.6842 Remote Similarity NPD4754 Approved
0.6842 Remote Similarity NPD5174 Approved
0.6829 Remote Similarity NPD4195 Approved
0.6818 Remote Similarity NPD6673 Approved
0.6818 Remote Similarity NPD6904 Approved
0.6818 Remote Similarity NPD6080 Approved
0.6813 Remote Similarity NPD5695 Phase 3
0.6778 Remote Similarity NPD6399 Phase 3
0.6778 Remote Similarity NPD5133 Approved
0.6774 Remote Similarity NPD5696 Approved
0.6771 Remote Similarity NPD5141 Approved
0.6753 Remote Similarity NPD4137 Phase 3
0.6753 Remote Similarity NPD3698 Phase 2
0.675 Remote Similarity NPD3703 Phase 2
0.6707 Remote Similarity NPD5364 Discontinued
0.6705 Remote Similarity NPD5737 Approved
0.6705 Remote Similarity NPD6672 Approved
0.6701 Remote Similarity NPD4767 Approved
0.6701 Remote Similarity NPD5739 Approved
0.6701 Remote Similarity NPD6675 Approved
0.6701 Remote Similarity NPD4768 Approved
0.6701 Remote Similarity NPD7128 Approved
0.6701 Remote Similarity NPD6402 Approved
0.6667 Remote Similarity NPD7341 Phase 2
0.6667 Remote Similarity NPD4244 Approved
0.6667 Remote Similarity NPD4245 Approved
0.6667 Remote Similarity NPD5281 Approved
0.6667 Remote Similarity NPD7902 Approved
0.6667 Remote Similarity NPD4747 Approved
0.6667 Remote Similarity NPD4691 Approved
0.6667 Remote Similarity NPD5284 Approved
0.6667 Remote Similarity NPD5693 Phase 1
0.6633 Remote Similarity NPD5701 Approved
0.6633 Remote Similarity NPD5697 Approved
0.6625 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6623 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6582 Remote Similarity NPD4243 Approved
0.6582 Remote Similarity NPD6081 Approved
0.6579 Remote Similarity NPD7331 Phase 2
0.6566 Remote Similarity NPD6011 Approved
0.6566 Remote Similarity NPD6881 Approved
0.6566 Remote Similarity NPD5128 Approved
0.6566 Remote Similarity NPD7320 Approved
0.6566 Remote Similarity NPD4729 Approved
0.6566 Remote Similarity NPD4730 Approved
0.6566 Remote Similarity NPD6899 Approved
0.6562 Remote Similarity NPD5091 Approved
0.6556 Remote Similarity NPD4096 Approved
0.6556 Remote Similarity NPD5692 Phase 3
0.6552 Remote Similarity NPD1696 Phase 3
0.6548 Remote Similarity NPD7525 Registered
0.6517 Remote Similarity NPD5208 Approved
0.6506 Remote Similarity NPD3671 Phase 1
0.65 Remote Similarity NPD6372 Approved
0.65 Remote Similarity NPD6012 Approved
0.65 Remote Similarity NPD6373 Approved
0.65 Remote Similarity NPD6013 Approved
0.65 Remote Similarity NPD6014 Approved
0.6484 Remote Similarity NPD6050 Approved
0.6484 Remote Similarity NPD5694 Approved
0.6477 Remote Similarity NPD7146 Approved
0.6477 Remote Similarity NPD7521 Approved
0.6477 Remote Similarity NPD5330 Approved
0.6477 Remote Similarity NPD6684 Approved
0.6477 Remote Similarity NPD7334 Approved
0.6477 Remote Similarity NPD6409 Approved
0.6463 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6463 Remote Similarity NPD6117 Approved
0.6436 Remote Similarity NPD5247 Approved
0.6436 Remote Similarity NPD7102 Approved
0.6436 Remote Similarity NPD6883 Approved
0.6436 Remote Similarity NPD5135 Approved
0.6436 Remote Similarity NPD7290 Approved
0.6436 Remote Similarity NPD4634 Approved
0.6436 Remote Similarity NPD5250 Approved
0.6436 Remote Similarity NPD5169 Approved
0.6436 Remote Similarity NPD5248 Approved
0.6436 Remote Similarity NPD5251 Approved
0.6436 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6436 Remote Similarity NPD5249 Phase 3
0.6429 Remote Similarity NPD7645 Phase 2
0.6429 Remote Similarity NPD615 Clinical (unspecified phase)
0.642 Remote Similarity NPD4058 Approved
0.642 Remote Similarity NPD4784 Approved
0.642 Remote Similarity NPD4785 Approved
0.64 Remote Similarity NPD5168 Approved
0.6386 Remote Similarity NPD6116 Phase 1
0.6373 Remote Similarity NPD6650 Approved
0.6373 Remote Similarity NPD5215 Approved
0.6373 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6373 Remote Similarity NPD6649 Approved
0.6373 Remote Similarity NPD6869 Approved
0.6373 Remote Similarity NPD5217 Approved
0.6373 Remote Similarity NPD6847 Approved
0.6373 Remote Similarity NPD5127 Approved
0.6373 Remote Similarity NPD6617 Approved
0.6373 Remote Similarity NPD8130 Phase 1
0.6373 Remote Similarity NPD5216 Approved
0.6353 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6344 Remote Similarity NPD7900 Approved
0.6344 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6344 Remote Similarity NPD6001 Approved
0.6341 Remote Similarity NPD7339 Approved
0.6341 Remote Similarity NPD6942 Approved
0.6341 Remote Similarity NPD3702 Approved
0.6341 Remote Similarity NPD4190 Phase 3
0.6341 Remote Similarity NPD5275 Approved
0.6333 Remote Similarity NPD4518 Approved
0.6333 Remote Similarity NPD6903 Approved
0.6333 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6311 Remote Similarity NPD6882 Approved
0.6311 Remote Similarity NPD8297 Approved
0.631 Remote Similarity NPD6115 Approved
0.631 Remote Similarity NPD6114 Approved
0.631 Remote Similarity NPD6697 Approved
0.631 Remote Similarity NPD6118 Approved
0.6277 Remote Similarity NPD6356 Clinical (unspecified phase)
0.625 Remote Similarity NPD4632 Approved
0.6238 Remote Similarity NPD5345 Clinical (unspecified phase)
0.622 Remote Similarity NPD5733 Approved
0.622 Remote Similarity NPD4687 Approved
0.622 Remote Similarity NPD6924 Approved
0.622 Remote Similarity NPD6926 Approved
0.6211 Remote Similarity NPD7614 Phase 1
0.6207 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6196 Remote Similarity NPD5207 Approved
0.619 Remote Similarity NPD5167 Approved
0.6173 Remote Similarity NPD5276 Approved

Structure

External Identifiers

PubChem CID   25147593
ChEMBL   CHEMBL457445
ZINC  

Physicochemical Properties

Molecular Weight:  236.18
ALogP:  0.3581
MLogP:  2.89
XLogP:  3.045
# Rotatable Bonds:  5
Polar Surface Area:  37.3
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  17

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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