Natural Product: NPC276336

Natural Product ID:  NPC276336
Common Name:   Heteranthin
IUPAC Name:   methyl (2E,4E,6E,8E,10E,12E)-2,7,11-trimethyl-13-[(1S)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]trideca-2,4,6,8,10,12-hexaenoate
Synonyms:   heteranthin
Molecular Formula:   C26H34O3
Standard InCHIKey:  NRLVZXUWVPUCFW-WFCITUQGSA-N
Standard InCHI:  InChI=1S/C26H34O3/c1-19(11-8-9-14-21(3)25(28)29-7)12-10-13-20(2)15-16-24-22(4)17-23(27)18-26(24,5)6/h8-17,24H,18H2,1-7H3/b9-8+,12-10+,16-15+,19-11+,20-13+,21-14+/t24-/m1/s1
Canonical SMILES:  COC(=O)/C(=C/C=C/C=C(/C=C/C=C(/C=C/[C@@H]1C(=CC(=O)CC1(C)C)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
NPO15489 Ditaxis heterantha Species Mantispidae Eukaryota Seeds PMID[16933864]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Activity = 34.13 um 18308563
NPT2 Others Unspecified Activity = 20.93 um 24392742
NPT2 Others Unspecified Activity = 0.78 a.u. 14552789
NPT2 Others Unspecified Activity = 6.24 a.u. 18183025
NPT2 Others Unspecified Activity = 17.02 a.u. 18183025
NPT35 Others n.a. Activity = 21 % 20000576
NPT2 Others Unspecified Activity = 4.4 a.u. 18347108

  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 NPC276336 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
0.863 High Similarity NPC65650
0.8493 Intermediate Similarity NPC20025
0.8462 Intermediate Similarity NPC474976
0.8462 Intermediate Similarity NPC474790
0.8462 Intermediate Similarity NPC118423
0.8333 Intermediate Similarity NPC268122
0.8333 Intermediate Similarity NPC94200
0.8312 Intermediate Similarity NPC160582
0.8148 Intermediate Similarity NPC168248
0.806 Intermediate Similarity NPC311852
0.8026 Intermediate Similarity NPC27205
0.7973 Intermediate Similarity NPC181587
0.7949 Intermediate Similarity NPC190211
0.7895 Intermediate Similarity NPC476346
0.7857 Intermediate Similarity NPC284561
0.7857 Intermediate Similarity NPC474844
0.7857 Intermediate Similarity NPC155849
0.7831 Intermediate Similarity NPC163016
0.7831 Intermediate Similarity NPC477228
0.7831 Intermediate Similarity NPC75315
0.7821 Intermediate Similarity NPC105197
0.7792 Intermediate Similarity NPC473223
0.7792 Intermediate Similarity NPC4509
0.7792 Intermediate Similarity NPC40353
0.7778 Intermediate Similarity NPC185587
0.7746 Intermediate Similarity NPC226066
0.7738 Intermediate Similarity NPC196407
0.7733 Intermediate Similarity NPC257618
0.7662 Intermediate Similarity NPC228978
0.7662 Intermediate Similarity NPC225665
0.7662 Intermediate Similarity NPC166018
0.7662 Intermediate Similarity NPC169056
0.7654 Intermediate Similarity NPC469804
0.7654 Intermediate Similarity NPC469805
0.7632 Intermediate Similarity NPC153660
0.7632 Intermediate Similarity NPC180015
0.7632 Intermediate Similarity NPC130016
0.7632 Intermediate Similarity NPC109576
0.7632 Intermediate Similarity NPC56747
0.7595 Intermediate Similarity NPC471220
0.759 Intermediate Similarity NPC189311
0.7586 Intermediate Similarity NPC469939
0.7561 Intermediate Similarity NPC193198
0.7561 Intermediate Similarity NPC3856
0.7561 Intermediate Similarity NPC279639
0.75 Intermediate Similarity NPC472863
0.75 Intermediate Similarity NPC471299
0.75 Intermediate Similarity NPC220478
0.75 Intermediate Similarity NPC21944
0.75 Intermediate Similarity NPC329698
0.75 Intermediate Similarity NPC133253
0.75 Intermediate Similarity NPC4638
0.747 Intermediate Similarity NPC475100
0.747 Intermediate Similarity NPC474359
0.747 Intermediate Similarity NPC149869
0.747 Intermediate Similarity NPC87552
0.7467 Intermediate Similarity NPC256846
0.7439 Intermediate Similarity NPC469799
0.7439 Intermediate Similarity NPC469806
0.7436 Intermediate Similarity NPC68624
0.7436 Intermediate Similarity NPC244166
0.7432 Intermediate Similarity NPC254886
0.7412 Intermediate Similarity NPC181327
0.7407 Intermediate Similarity NPC469798
0.7407 Intermediate Similarity NPC469797
0.7403 Intermediate Similarity NPC287878
0.7397 Intermediate Similarity NPC470688
0.7397 Intermediate Similarity NPC251118
0.7386 Intermediate Similarity NPC242069
0.7375 Intermediate Similarity NPC470052
0.7361 Intermediate Similarity NPC288253
0.7356 Intermediate Similarity NPC476437
0.7356 Intermediate Similarity NPC476369
0.7349 Intermediate Similarity NPC16488
0.7342 Intermediate Similarity NPC474463
0.7342 Intermediate Similarity NPC19907
0.7333 Intermediate Similarity NPC188292
0.7333 Intermediate Similarity NPC155198
0.7333 Intermediate Similarity NPC260474
0.7333 Intermediate Similarity NPC87141
0.7333 Intermediate Similarity NPC310992
0.7326 Intermediate Similarity NPC472302
0.7317 Intermediate Similarity NPC42470
0.7317 Intermediate Similarity NPC40228
0.7313 Intermediate Similarity NPC14002
0.7313 Intermediate Similarity NPC37644
0.7313 Intermediate Similarity NPC23117
0.7308 Intermediate Similarity NPC474796
0.7308 Intermediate Similarity NPC306928
0.7308 Intermediate Similarity NPC474797
0.7308 Intermediate Similarity NPC329866
0.7303 Intermediate Similarity NPC38830
0.7303 Intermediate Similarity NPC477129
0.7303 Intermediate Similarity NPC477130
0.7273 Intermediate Similarity NPC181204
0.7273 Intermediate Similarity NPC473986
0.7273 Intermediate Similarity NPC474018
0.7273 Intermediate Similarity NPC95863
0.726 Intermediate Similarity NPC212210
0.7253 Intermediate Similarity NPC202705
0.725 Intermediate Similarity NPC472300
0.725 Intermediate Similarity NPC473825
0.7241 Intermediate Similarity NPC173042
0.7241 Intermediate Similarity NPC118011
0.7241 Intermediate Similarity NPC36668
0.7241 Intermediate Similarity NPC5509
0.7237 Intermediate Similarity NPC136473
0.7237 Intermediate Similarity NPC476059
0.7237 Intermediate Similarity NPC470693
0.7237 Intermediate Similarity NPC473603
0.7229 Intermediate Similarity NPC142253
0.7229 Intermediate Similarity NPC16321
0.7229 Intermediate Similarity NPC472239
0.7229 Intermediate Similarity NPC3511
0.7229 Intermediate Similarity NPC472867
0.7229 Intermediate Similarity NPC200513
0.7222 Intermediate Similarity NPC209355
0.7222 Intermediate Similarity NPC329416
0.7222 Intermediate Similarity NPC317025
0.7222 Intermediate Similarity NPC317177
0.7222 Intermediate Similarity NPC326645
0.7222 Intermediate Similarity NPC171395
0.7222 Intermediate Similarity NPC295347
0.7215 Intermediate Similarity NPC473171
0.7209 Intermediate Similarity NPC476293
0.7206 Intermediate Similarity NPC5626
0.7195 Intermediate Similarity NPC268827
0.7179 Intermediate Similarity NPC186042
0.7174 Intermediate Similarity NPC57079
0.7174 Intermediate Similarity NPC108368
0.7162 Intermediate Similarity NPC133904
0.716 Intermediate Similarity NPC253749
0.7159 Intermediate Similarity NPC220454
0.7159 Intermediate Similarity NPC469372
0.7159 Intermediate Similarity NPC469595
0.7159 Intermediate Similarity NPC471818
0.7159 Intermediate Similarity NPC212679
0.7143 Intermediate Similarity NPC22611
0.7126 Intermediate Similarity NPC24816
0.7126 Intermediate Similarity NPC215831
0.7126 Intermediate Similarity NPC226863
0.7125 Intermediate Similarity NPC899
0.7125 Intermediate Similarity NPC469793
0.7125 Intermediate Similarity NPC469796
0.7111 Intermediate Similarity NPC476596
0.7111 Intermediate Similarity NPC476415
0.7108 Intermediate Similarity NPC275507
0.7108 Intermediate Similarity NPC475833
0.7108 Intermediate Similarity NPC474955
0.7105 Intermediate Similarity NPC470256
0.7093 Intermediate Similarity NPC315395
0.7093 Intermediate Similarity NPC234038
0.7093 Intermediate Similarity NPC316426
0.7093 Intermediate Similarity NPC211892
0.7089 Intermediate Similarity NPC117746
0.7089 Intermediate Similarity NPC294434
0.7089 Intermediate Similarity NPC474758
0.7089 Intermediate Similarity NPC309852
0.7089 Intermediate Similarity NPC259599
0.7089 Intermediate Similarity NPC166797
0.7089 Intermediate Similarity NPC15499
0.7083 Intermediate Similarity NPC79756
0.7083 Intermediate Similarity NPC127582
0.7079 Intermediate Similarity NPC473944
0.7073 Intermediate Similarity NPC170793
0.7073 Intermediate Similarity NPC469690
0.7067 Intermediate Similarity NPC242945
0.7067 Intermediate Similarity NPC255781
0.7067 Intermediate Similarity NPC259156
0.7067 Intermediate Similarity NPC191233
0.7065 Intermediate Similarity NPC110937
0.7065 Intermediate Similarity NPC208094
0.7065 Intermediate Similarity NPC2049
0.7059 Intermediate Similarity NPC31086
0.7059 Intermediate Similarity NPC14575
0.7059 Intermediate Similarity NPC30486
0.7059 Intermediate Similarity NPC196487
0.7051 Intermediate Similarity NPC54123
0.7045 Intermediate Similarity NPC73995
0.7045 Intermediate Similarity NPC177141
0.7042 Intermediate Similarity NPC308108
0.7042 Intermediate Similarity NPC170799
0.7037 Intermediate Similarity NPC187568
0.7037 Intermediate Similarity NPC470557
0.7037 Intermediate Similarity NPC97377
0.7037 Intermediate Similarity NPC180290
0.7037 Intermediate Similarity NPC57744
0.7037 Intermediate Similarity NPC41780
0.7037 Intermediate Similarity NPC54996
0.7027 Intermediate Similarity NPC34883
0.7027 Intermediate Similarity NPC150162
0.7024 Intermediate Similarity NPC186276
0.7024 Intermediate Similarity NPC100297
0.7021 Intermediate Similarity NPC168319
0.7021 Intermediate Similarity NPC194028
0.7015 Intermediate Similarity NPC64866
0.7011 Intermediate Similarity NPC478145
0.7011 Intermediate Similarity NPC478144
0.7011 Intermediate Similarity NPC475678
0.7011 Intermediate Similarity NPC312561

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC276336 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
0.7746 Intermediate Similarity NPD5325 Clinical (unspecified phase)
0.7662 Intermediate Similarity NPD8039 Approved
0.7439 Intermediate Similarity NPD5209 Approved
0.7308 Intermediate Similarity NPD4058 Approved
0.7229 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD4193 Approved
0.7222 Intermediate Similarity NPD4194 Approved
0.7222 Intermediate Similarity NPD4191 Approved
0.7222 Intermediate Similarity NPD4192 Approved
0.7089 Intermediate Similarity NPD4687 Approved
0.7089 Intermediate Similarity NPD5733 Approved
0.7051 Intermediate Similarity NPD5276 Approved
0.7042 Intermediate Similarity NPD287 Approved
0.6977 Remote Similarity NPD1694 Approved
0.6923 Remote Similarity NPD4691 Approved
0.6795 Remote Similarity NPD4137 Phase 3
0.6709 Remote Similarity NPD4747 Approved
0.6705 Remote Similarity NPD7521 Approved
0.6705 Remote Similarity NPD7334 Approved
0.6705 Remote Similarity NPD6409 Approved
0.6705 Remote Similarity NPD7146 Approved
0.6705 Remote Similarity NPD6684 Approved
0.6705 Remote Similarity NPD5330 Approved
0.6629 Remote Similarity NPD3573 Approved
0.6593 Remote Similarity NPD5207 Approved
0.6593 Remote Similarity NPD5785 Approved
0.6556 Remote Similarity NPD6903 Approved
0.6556 Remote Similarity NPD5737 Approved
0.6556 Remote Similarity NPD6672 Approved
0.6556 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6552 Remote Similarity NPD3527 Clinical (unspecified phase)
0.6522 Remote Similarity NPD6050 Approved
0.6522 Remote Similarity NPD5694 Approved
0.6522 Remote Similarity NPD5693 Phase 1
0.6429 Remote Similarity NPD4756 Discovery
0.6413 Remote Similarity NPD5692 Phase 3
0.6395 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6353 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6344 Remote Similarity NPD5284 Approved
0.6344 Remote Similarity NPD5281 Approved
0.6304 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6304 Remote Similarity NPD6904 Approved
0.6304 Remote Similarity NPD6673 Approved
0.6304 Remote Similarity NPD6080 Approved
0.6286 Remote Similarity NPD6927 Phase 3
0.6282 Remote Similarity NPD2685 Clinical (unspecified phase)
0.625 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6211 Remote Similarity NPD7900 Approved
0.6211 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6211 Remote Similarity NPD7748 Approved
0.6207 Remote Similarity NPD4695 Discontinued
0.6203 Remote Similarity NPD6108 Clinical (unspecified phase)
0.6196 Remote Similarity NPD5208 Approved
0.617 Remote Similarity NPD6411 Approved
0.617 Remote Similarity NPD7515 Phase 2
0.6154 Remote Similarity NPD6098 Approved
0.6154 Remote Similarity NPD4519 Discontinued
0.6154 Remote Similarity NPD4623 Approved
0.6154 Remote Similarity NPD5279 Phase 3
0.6146 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6136 Remote Similarity NPD8028 Phase 2
0.6122 Remote Similarity NPD7638 Approved
0.6111 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6105 Remote Similarity NPD5779 Approved
0.6105 Remote Similarity NPD5778 Approved
0.6082 Remote Similarity NPD7732 Phase 3
0.6081 Remote Similarity NPD4219 Approved
0.6061 Remote Similarity NPD7639 Approved
0.6061 Remote Similarity NPD7640 Approved
0.6061 Remote Similarity NPD6404 Discontinued
0.6044 Remote Similarity NPD5363 Approved
0.6044 Remote Similarity NPD1696 Phase 3
0.602 Remote Similarity NPD6084 Phase 2
0.602 Remote Similarity NPD7902 Approved
0.602 Remote Similarity NPD6083 Phase 2
0.6 Remote Similarity NPD4220 Pre-registration
0.6 Remote Similarity NPD6079 Approved
0.6 Remote Similarity NPD7331 Phase 2
0.6 Remote Similarity NPD7637 Suspended
0.6 Remote Similarity NPD8264 Approved
0.5979 Remote Similarity NPD5695 Phase 3
0.5979 Remote Similarity NPD1698 Clinical (unspecified phase)
0.5979 Remote Similarity NPD5654 Approved
0.5978 Remote Similarity NPD4694 Approved
0.5978 Remote Similarity NPD5280 Approved
0.5978 Remote Similarity NPD5690 Phase 2
0.5974 Remote Similarity NPD4246 Clinical (unspecified phase)
0.5963 Remote Similarity NPD7115 Discovery
0.5962 Remote Similarity NPD6686 Approved
0.596 Remote Similarity NPD4225 Approved
0.5957 Remote Similarity NPD6101 Approved
0.5957 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5957 Remote Similarity NPD6051 Approved
0.5938 Remote Similarity NPD6399 Phase 3
0.5934 Remote Similarity NPD3133 Approved
0.5934 Remote Similarity NPD3665 Phase 1
0.5934 Remote Similarity NPD3666 Approved
0.5895 Remote Similarity NPD6698 Approved
0.5895 Remote Similarity NPD46 Approved
0.5895 Remote Similarity NPD7838 Discovery
0.5889 Remote Similarity NPD4223 Phase 3
0.5889 Remote Similarity NPD4221 Approved
0.5876 Remote Similarity NPD6001 Approved
0.587 Remote Similarity NPD5329 Approved
0.5859 Remote Similarity NPD5959 Approved
0.5851 Remote Similarity NPD4518 Approved
0.5843 Remote Similarity NPD4252 Approved
0.5824 Remote Similarity NPD5362 Discontinued
0.581 Remote Similarity NPD6899 Approved
0.581 Remote Similarity NPD6881 Approved
0.5806 Remote Similarity NPD3618 Phase 1
0.58 Remote Similarity NPD8029 Clinical (unspecified phase)
0.58 Remote Similarity NPD5696 Approved
0.5789 Remote Similarity NPD5328 Approved
0.5773 Remote Similarity NPD7631 Approved
0.5761 Remote Similarity NPD4197 Approved
0.5761 Remote Similarity NPD4786 Approved
0.5758 Remote Similarity NPD7614 Phase 1
0.5743 Remote Similarity NPD6648 Approved
0.573 Remote Similarity NPD4195 Approved
0.5729 Remote Similarity NPD4096 Approved
0.5728 Remote Similarity NPD6647 Phase 2
0.5714 Remote Similarity NPD5697 Approved
0.5714 Remote Similarity NPD4269 Approved
0.5714 Remote Similarity NPD4270 Approved
0.5714 Remote Similarity NPD3667 Approved
0.5714 Remote Similarity NPD6614 Approved
0.5701 Remote Similarity NPD6883 Approved
0.5701 Remote Similarity NPD7290 Approved
0.5701 Remote Similarity NPD7102 Approved
0.57 Remote Similarity NPD3495 Discontinued
0.5699 Remote Similarity NPD5734 Clinical (unspecified phase)
0.5688 Remote Similarity NPD7094 Approved
0.5688 Remote Similarity NPD6858 Approved
0.5679 Remote Similarity NPD7341 Phase 2
0.567 Remote Similarity NPD7609 Phase 3
0.5667 Remote Similarity NPD5790 Clinical (unspecified phase)
0.566 Remote Similarity NPD6011 Approved
0.5657 Remote Similarity NPD4629 Approved
0.5657 Remote Similarity NPD5210 Approved
0.5652 Remote Similarity NPD6110 Phase 1
0.5652 Remote Similarity NPD7154 Phase 3
0.5648 Remote Similarity NPD6869 Approved
0.5648 Remote Similarity NPD6847 Approved
0.5648 Remote Similarity NPD8130 Phase 1
0.5648 Remote Similarity NPD6617 Approved
0.5648 Remote Similarity NPD6649 Approved
0.5648 Remote Similarity NPD6650 Approved
0.5638 Remote Similarity NPD3574 Clinical (unspecified phase)
0.5638 Remote Similarity NPD4693 Phase 3
0.5638 Remote Similarity NPD5205 Approved
0.5638 Remote Similarity NPD4138 Approved
0.5638 Remote Similarity NPD4688 Approved
0.5638 Remote Similarity NPD4689 Approved
0.5638 Remote Similarity NPD4690 Approved
0.5638 Remote Similarity NPD5786 Approved
0.5634 Remote Similarity NPD5343 Approved
0.5625 Remote Similarity NPD4753 Phase 2
0.5619 Remote Similarity NPD5739 Approved
0.5619 Remote Similarity NPD6402 Approved
0.5619 Remote Similarity NPD7128 Approved
0.5619 Remote Similarity NPD6675 Approved
0.5618 Remote Similarity NPD4271 Approved
0.5618 Remote Similarity NPD3617 Approved
0.5618 Remote Similarity NPD4268 Approved
0.5616 Remote Similarity NPD29 Approved
0.5616 Remote Similarity NPD28 Approved
0.5607 Remote Similarity NPD6014 Approved
0.5607 Remote Similarity NPD6012 Approved
0.5607 Remote Similarity NPD6013 Approved
0.5604 Remote Similarity NPD5369 Approved
0.56 Remote Similarity NPD5220 Clinical (unspecified phase)
0.56 Remote Similarity NPD5221 Approved
0.56 Remote Similarity NPD5222 Approved

Structure

External Identifiers

PubChem CID   16083083
ChEMBL   CHEMBL495652
ZINC  

Physicochemical Properties

Molecular Weight:  394.25
ALogP:  5.6484
MLogP:  3.99
XLogP:  6.505
# Rotatable Bonds:  15
Polar Surface Area:  43.37
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  1
# Heavy Atoms:  29

Download Data

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