Natural Product: NPC476952

Natural Product ID:  NPC476952
Common Name:   Pordamacrine B
IUPAC Name:  
Synonyms:  
Molecular Formula:   C23H31NO4
Standard InCHIKey:  KJJSHRRLRCGALL-SZVYSJOGSA-N
Standard InCHI:  InChI=1S/C23H31NO4/c1-13-10-24-11-15-5-3-14-4-6-16-17(20(26)28-2)9-22(19(14)16)21(15,12-25)8-7-18(13)23(22,24)27/h7-8,13,15-18,25,27H,3-6,9-12H2,1-2H3/t13-,15?,16-,17-,18?,21?,22-,23?/m1/s1
Canonical SMILES:  COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@H]14)CCC1C2(CO)C=CC2C3(O)N(C1)C[C@H]2C
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
NPO25184 Daphniphyllum macropodum Species Daphniphyllaceae Eukaryota leaves PMID[17708656]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2847 Tissue Thoracic aorta Rattus norvegicus Activity = 47.1 % 17708656

  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 NPC476952 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
0.9464 High Similarity NPC88190
0.9145 High Similarity NPC476951
0.8678 High Similarity NPC470539
0.8512 High Similarity NPC470537
0.8361 Intermediate Similarity NPC280903
0.7797 Intermediate Similarity NPC470534
0.7788 Intermediate Similarity NPC474348
0.7705 Intermediate Similarity NPC471109
0.7692 Intermediate Similarity NPC470535
0.7627 Intermediate Similarity NPC470536
0.7563 Intermediate Similarity NPC470528
0.7563 Intermediate Similarity NPC470530
0.7563 Intermediate Similarity NPC470527
0.7563 Intermediate Similarity NPC470529
0.7563 Intermediate Similarity NPC470531
0.7563 Intermediate Similarity NPC470532
0.7563 Intermediate Similarity NPC470533
0.7541 Intermediate Similarity NPC470538
0.7417 Intermediate Similarity NPC473232
0.6953 Remote Similarity NPC35037
0.6917 Remote Similarity NPC265094
0.6884 Remote Similarity NPC45813
0.6875 Remote Similarity NPC96731
0.6846 Remote Similarity NPC238323
0.6748 Remote Similarity NPC46981
0.6746 Remote Similarity NPC469466
0.6721 Remote Similarity NPC212874
0.6718 Remote Similarity NPC476504
0.6642 Remote Similarity NPC474371
0.6641 Remote Similarity NPC470540
0.6641 Remote Similarity NPC230849
0.6587 Remote Similarity NPC63511
0.6567 Remote Similarity NPC476503
0.656 Remote Similarity NPC70235
0.6544 Remote Similarity NPC476957
0.6538 Remote Similarity NPC147707
0.6532 Remote Similarity NPC236644
0.6532 Remote Similarity NPC86906
0.6522 Remote Similarity NPC203170
0.6512 Remote Similarity NPC123117
0.6504 Remote Similarity NPC140723
0.6489 Remote Similarity NPC235625
0.6484 Remote Similarity NPC276995
0.6484 Remote Similarity NPC76660
0.648 Remote Similarity NPC59530
0.648 Remote Similarity NPC271562
0.6462 Remote Similarity NPC288629
0.6452 Remote Similarity NPC475239
0.6452 Remote Similarity NPC119329
0.6446 Remote Similarity NPC91604
0.6434 Remote Similarity NPC209058
0.6419 Remote Similarity NPC264958
0.6419 Remote Similarity NPC266697
0.6419 Remote Similarity NPC15440
0.6419 Remote Similarity NPC185590
0.6403 Remote Similarity NPC139585
0.64 Remote Similarity NPC96377
0.64 Remote Similarity NPC233256
0.64 Remote Similarity NPC195841
0.6393 Remote Similarity NPC218383
0.6391 Remote Similarity NPC11379
0.6387 Remote Similarity NPC90453
0.6385 Remote Similarity NPC135431
0.6364 Remote Similarity NPC174463
0.6349 Remote Similarity NPC176773
0.6343 Remote Similarity NPC23963
0.6336 Remote Similarity NPC209252
0.6328 Remote Similarity NPC42776
0.6328 Remote Similarity NPC471884
0.632 Remote Similarity NPC255309
0.6311 Remote Similarity NPC114274
0.6311 Remote Similarity NPC477854
0.6308 Remote Similarity NPC478137
0.6308 Remote Similarity NPC9848
0.6308 Remote Similarity NPC312017
0.6304 Remote Similarity NPC212106
0.6304 Remote Similarity NPC173173
0.6303 Remote Similarity NPC206810
0.6293 Remote Similarity NPC167877
0.6281 Remote Similarity NPC477853
0.6281 Remote Similarity NPC42042
0.6281 Remote Similarity NPC173272
0.6281 Remote Similarity NPC471843
0.6279 Remote Similarity NPC79238
0.6277 Remote Similarity NPC265275
0.6277 Remote Similarity NPC48886
0.6277 Remote Similarity NPC94881
0.627 Remote Similarity NPC278628
0.627 Remote Similarity NPC471844
0.627 Remote Similarity NPC231530
0.626 Remote Similarity NPC471398
0.626 Remote Similarity NPC476499
0.626 Remote Similarity NPC128698
0.626 Remote Similarity NPC239768
0.626 Remote Similarity NPC473224
0.626 Remote Similarity NPC280963
0.625 Remote Similarity NPC147835
0.625 Remote Similarity NPC253645
0.625 Remote Similarity NPC287885
0.625 Remote Similarity NPC118225
0.625 Remote Similarity NPC85001
0.625 Remote Similarity NPC274895
0.625 Remote Similarity NPC95920
0.6241 Remote Similarity NPC69496
0.624 Remote Similarity NPC215988
0.624 Remote Similarity NPC97336
0.624 Remote Similarity NPC474775
0.6239 Remote Similarity NPC294480
0.6232 Remote Similarity NPC96010
0.6232 Remote Similarity NPC317654
0.6231 Remote Similarity NPC314550
0.6231 Remote Similarity NPC126691
0.6231 Remote Similarity NPC60432
0.6231 Remote Similarity NPC261750
0.6231 Remote Similarity NPC1111
0.623 Remote Similarity NPC476344
0.623 Remote Similarity NPC161493
0.6218 Remote Similarity NPC131209
0.6218 Remote Similarity NPC133698
0.6214 Remote Similarity NPC477988
0.621 Remote Similarity NPC116139
0.6204 Remote Similarity NPC471087
0.6204 Remote Similarity NPC477985
0.6204 Remote Similarity NPC326386
0.6202 Remote Similarity NPC287764
0.6202 Remote Similarity NPC197428
0.6202 Remote Similarity NPC206595
0.6198 Remote Similarity NPC67584
0.6198 Remote Similarity NPC48330
0.6198 Remote Similarity NPC52044
0.619 Remote Similarity NPC203659
0.619 Remote Similarity NPC471293
0.619 Remote Similarity NPC309190
0.6186 Remote Similarity NPC232747
0.6183 Remote Similarity NPC130124
0.6183 Remote Similarity NPC193471
0.6179 Remote Similarity NPC271387
0.6179 Remote Similarity NPC234542
0.6179 Remote Similarity NPC153792
0.6174 Remote Similarity NPC277918
0.6174 Remote Similarity NPC165287
0.6172 Remote Similarity NPC94529
0.6172 Remote Similarity NPC469845
0.617 Remote Similarity NPC189393
0.617 Remote Similarity NPC90814
0.6167 Remote Similarity NPC109414
0.6167 Remote Similarity NPC477855
0.6165 Remote Similarity NPC209734
0.616 Remote Similarity NPC225353
0.616 Remote Similarity NPC66110
0.616 Remote Similarity NPC235369
0.6154 Remote Similarity NPC231589
0.6154 Remote Similarity NPC475773
0.6154 Remote Similarity NPC237540
0.6154 Remote Similarity NPC312215
0.6154 Remote Similarity NPC214797
0.6154 Remote Similarity NPC118860
0.6148 Remote Similarity NPC111684
0.6148 Remote Similarity NPC213078
0.6148 Remote Similarity NPC58052
0.6144 Remote Similarity NPC12124
0.6144 Remote Similarity NPC44200
0.6142 Remote Similarity NPC210178
0.6142 Remote Similarity NPC473252
0.6142 Remote Similarity NPC470309
0.6142 Remote Similarity NPC475217
0.6142 Remote Similarity NPC190867
0.6136 Remote Similarity NPC474181
0.6136 Remote Similarity NPC471380
0.6134 Remote Similarity NPC123854
0.6134 Remote Similarity NPC46281
0.6131 Remote Similarity NPC473477
0.6129 Remote Similarity NPC241221
0.6129 Remote Similarity NPC473146
0.6129 Remote Similarity NPC167974
0.6127 Remote Similarity NPC133089
0.6124 Remote Similarity NPC241927
0.6124 Remote Similarity NPC258543
0.6124 Remote Similarity NPC474725
0.6119 Remote Similarity NPC9714
0.6119 Remote Similarity NPC161060
0.6119 Remote Similarity NPC476956
0.6119 Remote Similarity NPC201889
0.6119 Remote Similarity NPC106791
0.6116 Remote Similarity NPC250075
0.6116 Remote Similarity NPC477131
0.6116 Remote Similarity NPC198853
0.6111 Remote Similarity NPC110989
0.6111 Remote Similarity NPC233910
0.6111 Remote Similarity NPC159442
0.6111 Remote Similarity NPC36688
0.6111 Remote Similarity NPC98765
0.6111 Remote Similarity NPC245836
0.6107 Remote Similarity NPC234042
0.6107 Remote Similarity NPC152117
0.6107 Remote Similarity NPC170487
0.6107 Remote Similarity NPC471516
0.6107 Remote Similarity NPC476498
0.6102 Remote Similarity NPC183546
0.6102 Remote Similarity NPC247406

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC476952 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
0.6822 Remote Similarity NPD7517 Approved
0.6822 Remote Similarity NPD7518 Approved
0.6822 Remote Similarity NPD7519 Approved
0.6617 Remote Similarity NPD7122 Discontinued
0.6532 Remote Similarity NPD7333 Discontinued
0.6475 Remote Similarity NPD6845 Suspended
0.6417 Remote Similarity NPD5349 Clinical (unspecified phase)
0.6286 Remote Similarity NPD7260 Phase 2
0.625 Remote Similarity NPD6333 Approved
0.625 Remote Similarity NPD6334 Approved
0.6241 Remote Similarity NPD2613 Approved
0.6222 Remote Similarity NPD6908 Approved
0.6222 Remote Similarity NPD6909 Approved
0.6187 Remote Similarity NPD8337 Approved
0.6187 Remote Similarity NPD8336 Approved
0.6165 Remote Similarity NPD8137 Clinical (unspecified phase)
0.6159 Remote Similarity NPD8273 Phase 1
0.6127 Remote Similarity NPD8338 Approved
0.6119 Remote Similarity NPD7641 Discontinued
0.6111 Remote Similarity NPD3615 Approved
0.6111 Remote Similarity NPD3088 Approved
0.6111 Remote Similarity NPD2571 Approved
0.6111 Remote Similarity NPD2574 Discontinued
0.6111 Remote Similarity NPD3614 Approved
0.6111 Remote Similarity NPD2572 Clinical (unspecified phase)
0.6111 Remote Similarity NPD3089 Approved
0.6111 Remote Similarity NPD4745 Approved
0.6111 Remote Similarity NPD2566 Approved
0.6111 Remote Similarity NPD4746 Phase 3
0.6111 Remote Similarity NPD3087 Approved
0.6111 Remote Similarity NPD3616 Approved
0.6111 Remote Similarity NPD2570 Approved
0.6111 Remote Similarity NPD3090 Approved
0.6111 Remote Similarity NPD2573 Approved
0.6087 Remote Similarity NPD5362 Discontinued
0.6083 Remote Similarity NPD6411 Approved
0.6077 Remote Similarity NPD6420 Discontinued
0.6066 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6053 Remote Similarity NPD857 Phase 3
0.6033 Remote Similarity NPD6399 Phase 3
0.6027 Remote Similarity NPD4686 Approved
0.6027 Remote Similarity NPD4684 Phase 3
0.6027 Remote Similarity NPD4685 Phase 3
0.6016 Remote Similarity NPD6008 Approved
0.6014 Remote Similarity NPD8449 Approved
0.5986 Remote Similarity NPD7751 Phase 1
0.5985 Remote Similarity NPD6053 Discontinued
0.5985 Remote Similarity NPD8274 Clinical (unspecified phase)
0.5984 Remote Similarity NPD5282 Discontinued
0.5972 Remote Similarity NPD8450 Suspended
0.5971 Remote Similarity NPD8340 Approved
0.5971 Remote Similarity NPD2610 Approved
0.5971 Remote Similarity NPD8341 Approved
0.5971 Remote Similarity NPD3132 Approved
0.5971 Remote Similarity NPD3131 Approved
0.5971 Remote Similarity NPD8299 Approved
0.5971 Remote Similarity NPD2611 Approved
0.5971 Remote Similarity NPD2609 Approved
0.5971 Remote Similarity NPD4218 Approved
0.5971 Remote Similarity NPD8342 Approved
0.5971 Remote Similarity NPD4217 Approved
0.5971 Remote Similarity NPD4216 Approved
0.5971 Remote Similarity NPD4215 Approved
0.5971 Remote Similarity NPD2608 Approved
0.5971 Remote Similarity NPD2612 Approved
0.5956 Remote Similarity NPD2116 Approved
0.5956 Remote Similarity NPD2115 Approved
0.5956 Remote Similarity NPD2117 Pre-registration
0.594 Remote Similarity NPD4632 Approved
0.5929 Remote Similarity NPD8451 Approved
0.5917 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5917 Remote Similarity NPD6101 Approved
0.5912 Remote Similarity NPD2994 Approved
0.5902 Remote Similarity NPD5778 Approved
0.5902 Remote Similarity NPD5779 Approved
0.5899 Remote Similarity NPD7604 Phase 2
0.5887 Remote Similarity NPD8448 Approved
0.5874 Remote Similarity NPD8391 Approved
0.5874 Remote Similarity NPD8392 Approved
0.5874 Remote Similarity NPD8390 Approved
0.587 Remote Similarity NPD3030 Approved
0.587 Remote Similarity NPD3031 Approved
0.587 Remote Similarity NPD3032 Approved
0.5862 Remote Similarity NPD6435 Approved
0.5852 Remote Similarity NPD7754 Approved
0.5852 Remote Similarity NPD7755 Approved
0.5846 Remote Similarity NPD5697 Approved
0.5833 Remote Similarity NPD6421 Discontinued
0.5827 Remote Similarity NPD8080 Discontinued
0.5826 Remote Similarity NPD5368 Approved
0.5822 Remote Similarity NPD8415 Approved
0.5809 Remote Similarity NPD6009 Approved
0.5802 Remote Similarity NPD7320 Approved
0.5802 Remote Similarity NPD6881 Approved
0.5802 Remote Similarity NPD6011 Approved
0.5802 Remote Similarity NPD6899 Approved
0.5798 Remote Similarity NPD4249 Approved
0.5797 Remote Similarity NPD7148 Clinical (unspecified phase)
0.5797 Remote Similarity NPD7147 Phase 3
0.5789 Remote Similarity NPD2204 Approved
0.5789 Remote Similarity NPD5784 Clinical (unspecified phase)
0.5786 Remote Similarity NPD2946 Phase 2
0.5782 Remote Similarity NPD8387 Clinical (unspecified phase)
0.5775 Remote Similarity NPD7078 Approved
0.5772 Remote Similarity NPD5781 Clinical (unspecified phase)
0.5769 Remote Similarity NPD5739 Approved
0.5769 Remote Similarity NPD7128 Approved
0.5769 Remote Similarity NPD6402 Approved
0.5769 Remote Similarity NPD6675 Approved
0.5763 Remote Similarity NPD4786 Approved
0.5758 Remote Similarity NPD6014 Approved
0.5758 Remote Similarity NPD6013 Approved
0.5758 Remote Similarity NPD6012 Approved
0.5755 Remote Similarity NPD8267 Approved
0.5755 Remote Similarity NPD8266 Approved
0.5755 Remote Similarity NPD8268 Approved
0.5755 Remote Similarity NPD8269 Approved
0.575 Remote Similarity NPD4250 Approved
0.575 Remote Similarity NPD4251 Approved
0.5745 Remote Similarity NPD7492 Approved
0.5726 Remote Similarity NPD3667 Approved
0.5725 Remote Similarity NPD8140 Approved
0.5725 Remote Similarity NPD8307 Discontinued
0.5725 Remote Similarity NPD5701 Approved
0.5724 Remote Similarity NPD5193 Discontinued
0.5714 Remote Similarity NPD6083 Phase 2
0.5714 Remote Similarity NPD6883 Approved
0.5714 Remote Similarity NPD7290 Approved
0.5714 Remote Similarity NPD6084 Phase 2
0.5714 Remote Similarity NPD7102 Approved
0.5704 Remote Similarity NPD6616 Approved
0.5691 Remote Similarity NPD6079 Approved
0.5691 Remote Similarity NPD7637 Suspended
0.5691 Remote Similarity NPD5284 Approved
0.5691 Remote Similarity NPD5281 Approved
0.5683 Remote Similarity NPD6054 Approved
0.5683 Remote Similarity NPD6319 Approved
0.568 Remote Similarity NPD5695 Phase 3
0.5674 Remote Similarity NPD7642 Approved
0.5672 Remote Similarity NPD6847 Approved
0.5672 Remote Similarity NPD6869 Approved
0.5672 Remote Similarity NPD6650 Approved
0.5672 Remote Similarity NPD6617 Approved
0.5672 Remote Similarity NPD1719 Phase 1
0.5672 Remote Similarity NPD6649 Approved
0.5672 Remote Similarity NPD8130 Phase 1
0.5667 Remote Similarity NPD5786 Approved
0.5656 Remote Similarity NPD1695 Approved
0.5656 Remote Similarity NPD5328 Approved
0.5643 Remote Similarity NPD6921 Approved
0.5643 Remote Similarity NPD6015 Approved
0.5643 Remote Similarity NPD5983 Phase 2
0.5643 Remote Similarity NPD6016 Approved
0.5641 Remote Similarity NPD4790 Discontinued
0.5641 Remote Similarity NPD5369 Approved
0.5639 Remote Similarity NPD6372 Approved
0.5639 Remote Similarity NPD6373 Approved
0.5635 Remote Similarity NPD5221 Approved
0.5635 Remote Similarity NPD7839 Suspended
0.5635 Remote Similarity NPD5222 Approved
0.5635 Remote Similarity NPD5220 Clinical (unspecified phase)
0.563 Remote Similarity NPD8297 Approved
0.563 Remote Similarity NPD6882 Approved
0.5625 Remote Similarity NPD4696 Approved
0.5625 Remote Similarity NPD5286 Approved
0.5625 Remote Similarity NPD5285 Approved
0.5625 Remote Similarity NPD7736 Approved
0.562 Remote Similarity NPD4766 Approved
0.5616 Remote Similarity NPD2101 Approved
0.5613 Remote Similarity NPD2575 Approved
0.5612 Remote Similarity NPD2132 Phase 3
0.5606 Remote Similarity NPD6412 Phase 2
0.5603 Remote Similarity NPD6370 Approved
0.5603 Remote Similarity NPD5988 Approved

Structure

External Identifiers

PubChem CID   44444999
ChEMBL   CHEMBL252938
ZINC  

Physicochemical Properties

Molecular Weight:  385.23
ALogP:  -0.7372
MLogP:  3.44
XLogP:  0.319
# Rotatable Bonds:  7
Polar Surface Area:  70
# H-Bond Aceptor:  5
# H-Bond Donor:  2
# Rings:  6
# Heavy Atoms:  28

Download Data

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