Natural Product: NPC476951

Natural Product ID:  NPC476951
Common Name:   Pordamacrine A
IUPAC Name:  
Synonyms:  
Molecular Formula:   C23H31NO5
Standard InCHIKey:  STEHXMPTKMFKML-DJNPKISFSA-N
Standard InCHI:  InChI=1S/C23H31NO5/c1-13-10-24-11-15-5-3-14-4-6-16-17(19(26)29-2)9-21(18(14)16)20(15,12-25)7-8-22(13,27)23(21,24)28/h7-8,13,15-17,25,27-28H,3-6,9-12H2,1-2H3/t13-,15?,16-,17-,20?,21-,22?,23?/m1/s1
Canonical SMILES:  COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@H]14)CCC1C2(CO)C=CC2(C3(O)N(C1)C[C@H]2C)O
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 = 50 % 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 NPC476951 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
0.95 High Similarity NPC470539
0.9145 High Similarity NPC476952
0.8678 High Similarity NPC88190
0.7984 Intermediate Similarity NPC470537
0.7846 Intermediate Similarity NPC280903
0.736 Intermediate Similarity NPC473232
0.7302 Intermediate Similarity NPC470534
0.7231 Intermediate Similarity NPC471109
0.7214 Intermediate Similarity NPC45813
0.7131 Intermediate Similarity NPC474348
0.7111 Intermediate Similarity NPC474371
0.7087 Intermediate Similarity NPC470533
0.7087 Intermediate Similarity NPC470531
0.7087 Intermediate Similarity NPC470527
0.7087 Intermediate Similarity NPC470532
0.7087 Intermediate Similarity NPC470530
0.7087 Intermediate Similarity NPC470528
0.7087 Intermediate Similarity NPC470529
0.7077 Intermediate Similarity NPC470538
0.7063 Intermediate Similarity NPC470535
0.7008 Intermediate Similarity NPC470536
0.697 Remote Similarity NPC96731
0.697 Remote Similarity NPC235625
0.6866 Remote Similarity NPC230849
0.6846 Remote Similarity NPC469466
0.6815 Remote Similarity NPC23963
0.6791 Remote Similarity NPC35037
0.6746 Remote Similarity NPC265094
0.6741 Remote Similarity NPC11379
0.6733 Remote Similarity NPC15440
0.6733 Remote Similarity NPC185590
0.6733 Remote Similarity NPC264958
0.6718 Remote Similarity NPC314550
0.6692 Remote Similarity NPC30196
0.6692 Remote Similarity NPC288629
0.6691 Remote Similarity NPC238323
0.6667 Remote Similarity NPC130124
0.6667 Remote Similarity NPC193471
0.6643 Remote Similarity NPC173173
0.6642 Remote Similarity NPC6531
0.6593 Remote Similarity NPC106791
0.6593 Remote Similarity NPC201889
0.6591 Remote Similarity NPC276995
0.6591 Remote Similarity NPC76660
0.6589 Remote Similarity NPC271562
0.6549 Remote Similarity NPC477988
0.6547 Remote Similarity NPC477985
0.6547 Remote Similarity NPC326386
0.6547 Remote Similarity NPC314451
0.6547 Remote Similarity NPC313342
0.6547 Remote Similarity NPC313333
0.6547 Remote Similarity NPC471087
0.6547 Remote Similarity NPC314512
0.6525 Remote Similarity NPC471086
0.6525 Remote Similarity NPC476957
0.6515 Remote Similarity NPC47857
0.6515 Remote Similarity NPC181510
0.6515 Remote Similarity NPC168758
0.6513 Remote Similarity NPC266697
0.6512 Remote Similarity NPC471844
0.6503 Remote Similarity NPC90814
0.6503 Remote Similarity NPC189393
0.6471 Remote Similarity NPC284656
0.6471 Remote Similarity NPC174463
0.6466 Remote Similarity NPC126691
0.6454 Remote Similarity NPC96010
0.6454 Remote Similarity NPC317654
0.6452 Remote Similarity NPC44200
0.6452 Remote Similarity NPC12124
0.6449 Remote Similarity NPC476504
0.6412 Remote Similarity NPC70235
0.6403 Remote Similarity NPC478138
0.6397 Remote Similarity NPC65045
0.6397 Remote Similarity NPC147707
0.6389 Remote Similarity NPC139585
0.6385 Remote Similarity NPC236644
0.6357 Remote Similarity NPC323168
0.6357 Remote Similarity NPC474775
0.6357 Remote Similarity NPC477989
0.6357 Remote Similarity NPC477990
0.6357 Remote Similarity NPC293550
0.6357 Remote Similarity NPC111162
0.6346 Remote Similarity NPC314050
0.6346 Remote Similarity NPC315809
0.6343 Remote Similarity NPC60432
0.6343 Remote Similarity NPC1111
0.6343 Remote Similarity NPC261750
0.6338 Remote Similarity NPC314282
0.6336 Remote Similarity NPC59530
0.6327 Remote Similarity NPC243902
0.632 Remote Similarity NPC472469
0.6319 Remote Similarity NPC478139
0.6319 Remote Similarity NPC215507
0.6312 Remote Similarity NPC476503
0.6312 Remote Similarity NPC469999
0.6308 Remote Similarity NPC475239
0.6301 Remote Similarity NPC477072
0.6296 Remote Similarity NPC312017
0.6296 Remote Similarity NPC9848
0.6294 Remote Similarity NPC478136
0.6288 Remote Similarity NPC472217
0.6288 Remote Similarity NPC472219
0.6288 Remote Similarity NPC472218
0.6279 Remote Similarity NPC473289
0.6279 Remote Similarity NPC86077
0.6277 Remote Similarity NPC209734
0.6269 Remote Similarity NPC30911
0.6269 Remote Similarity NPC316984
0.6268 Remote Similarity NPC477987
0.6268 Remote Similarity NPC329401
0.626 Remote Similarity NPC243998
0.625 Remote Similarity NPC474181
0.625 Remote Similarity NPC470540
0.6241 Remote Similarity NPC318445
0.6241 Remote Similarity NPC316133
0.624 Remote Similarity NPC90453
0.6233 Remote Similarity NPC133089
0.6233 Remote Similarity NPC476111
0.623 Remote Similarity NPC203170
0.6224 Remote Similarity NPC204556
0.622 Remote Similarity NPC476344
0.6216 Remote Similarity NPC297058
0.6214 Remote Similarity NPC473228
0.6214 Remote Similarity NPC470829
0.6214 Remote Similarity NPC470000
0.6212 Remote Similarity NPC46981
0.6204 Remote Similarity NPC277583
0.6204 Remote Similarity NPC49492
0.6204 Remote Similarity NPC266728
0.6202 Remote Similarity NPC116139
0.6202 Remote Similarity NPC150923
0.6194 Remote Similarity NPC5103
0.6183 Remote Similarity NPC203659
0.6183 Remote Similarity NPC212874
0.6183 Remote Similarity NPC258532
0.6183 Remote Similarity NPC64168
0.6183 Remote Similarity NPC100487
0.6183 Remote Similarity NPC309190
0.6181 Remote Similarity NPC212106
0.6181 Remote Similarity NPC474847
0.6176 Remote Similarity NPC209058
0.6176 Remote Similarity NPC478137
0.617 Remote Similarity NPC469943
0.6165 Remote Similarity NPC117604
0.6164 Remote Similarity NPC316401
0.6154 Remote Similarity NPC66110
0.6149 Remote Similarity NPC99864
0.6148 Remote Similarity NPC473921
0.6148 Remote Similarity NPC475668
0.6148 Remote Similarity NPC475480
0.6142 Remote Similarity NPC471843
0.6136 Remote Similarity NPC223450
0.6136 Remote Similarity NPC86906
0.6136 Remote Similarity NPC314244
0.6136 Remote Similarity NPC96377
0.6136 Remote Similarity NPC93179
0.6136 Remote Similarity NPC323834
0.6131 Remote Similarity NPC123117
0.6129 Remote Similarity NPC214844
0.6127 Remote Similarity NPC314629
0.6124 Remote Similarity NPC241221
0.6124 Remote Similarity NPC280963
0.6124 Remote Similarity NPC218383
0.6122 Remote Similarity NPC69496
0.6119 Remote Similarity NPC472534
0.6119 Remote Similarity NPC143706
0.6115 Remote Similarity NPC120599
0.6115 Remote Similarity NPC156336
0.6115 Remote Similarity NPC13710
0.6115 Remote Similarity NPC200412
0.6111 Remote Similarity NPC470958
0.6111 Remote Similarity NPC470957
0.6107 Remote Similarity NPC279833
0.6107 Remote Similarity NPC6271
0.6107 Remote Similarity NPC97336
0.6107 Remote Similarity NPC80439
0.6107 Remote Similarity NPC270046
0.6107 Remote Similarity NPC215988
0.6107 Remote Similarity NPC110989
0.6107 Remote Similarity NPC173690
0.6103 Remote Similarity NPC474497
0.6103 Remote Similarity NPC234042
0.6103 Remote Similarity NPC152117
0.6103 Remote Similarity NPC43648
0.6103 Remote Similarity NPC236217
0.6094 Remote Similarity NPC161493
0.6094 Remote Similarity NPC469432
0.609 Remote Similarity NPC230541
0.609 Remote Similarity NPC176773
0.6087 Remote Similarity NPC138372
0.6087 Remote Similarity NPC471846
0.6087 Remote Similarity NPC202722
0.6087 Remote Similarity NPC106228
0.6087 Remote Similarity NPC176840
0.6087 Remote Similarity NPC241294
0.6087 Remote Similarity NPC39041
0.6087 Remote Similarity NPC304646
0.6087 Remote Similarity NPC28280
0.6087 Remote Similarity NPC471845
0.6081 Remote Similarity NPC120420

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC476951 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
0.6547 Remote Similarity NPD8341 Approved
0.6547 Remote Similarity NPD8299 Approved
0.6547 Remote Similarity NPD8342 Approved
0.6547 Remote Similarity NPD8340 Approved
0.6519 Remote Similarity NPD8137 Clinical (unspecified phase)
0.6458 Remote Similarity NPD6845 Suspended
0.6423 Remote Similarity NPD7519 Approved
0.6423 Remote Similarity NPD7517 Approved
0.6423 Remote Similarity NPD7518 Approved
0.6383 Remote Similarity NPD8451 Approved
0.6383 Remote Similarity NPD8273 Phase 1
0.6357 Remote Similarity NPD7122 Discontinued
0.6338 Remote Similarity NPD8448 Approved
0.6331 Remote Similarity NPD8274 Clinical (unspecified phase)
0.6319 Remote Similarity NPD8391 Approved
0.6319 Remote Similarity NPD8390 Approved
0.6319 Remote Similarity NPD8392 Approved
0.6269 Remote Similarity NPD2204 Approved
0.626 Remote Similarity NPD7333 Discontinued
0.6241 Remote Similarity NPD7642 Approved
0.6232 Remote Similarity NPD7641 Discontinued
0.6216 Remote Similarity NPD8387 Clinical (unspecified phase)
0.617 Remote Similarity NPD8080 Discontinued
0.6164 Remote Similarity NPD7260 Phase 2
0.6149 Remote Similarity NPD8415 Approved
0.6129 Remote Similarity NPD2575 Approved
0.6122 Remote Similarity NPD2613 Approved
0.6099 Remote Similarity NPD6909 Approved
0.6099 Remote Similarity NPD6908 Approved
0.609 Remote Similarity NPD8140 Approved
0.609 Remote Similarity NPD8307 Discontinued
0.6074 Remote Similarity NPD6420 Discontinued
0.6074 Remote Similarity NPD6421 Discontinued
0.6069 Remote Similarity NPD8337 Approved
0.6069 Remote Similarity NPD8336 Approved
0.6026 Remote Similarity NPD6334 Approved
0.6026 Remote Similarity NPD6333 Approved
0.6014 Remote Similarity NPD8338 Approved
0.6 Remote Similarity NPD3088 Approved
0.6 Remote Similarity NPD2566 Approved
0.6 Remote Similarity NPD3089 Approved
0.6 Remote Similarity NPD2572 Clinical (unspecified phase)
0.6 Remote Similarity NPD3087 Approved
0.6 Remote Similarity NPD3615 Approved
0.6 Remote Similarity NPD2570 Approved
0.6 Remote Similarity NPD4745 Approved
0.6 Remote Similarity NPD2571 Approved
0.6 Remote Similarity NPD4746 Phase 3
0.6 Remote Similarity NPD3614 Approved
0.6 Remote Similarity NPD2573 Approved
0.6 Remote Similarity NPD3616 Approved
0.6 Remote Similarity NPD3090 Approved
0.6 Remote Similarity NPD2574 Discontinued
0.595 Remote Similarity NPD5362 Discontinued
0.5935 Remote Similarity NPD5193 Discontinued
0.5921 Remote Similarity NPD4684 Phase 3
0.5921 Remote Similarity NPD4686 Approved
0.5921 Remote Similarity NPD4685 Phase 3
0.5891 Remote Similarity NPD5349 Clinical (unspecified phase)
0.5874 Remote Similarity NPD6921 Approved
0.587 Remote Similarity NPD6053 Discontinued
0.5839 Remote Similarity NPD3663 Approved
0.5839 Remote Similarity NPD3662 Phase 3
0.5839 Remote Similarity NPD6371 Approved
0.5839 Remote Similarity NPD3664 Approved
0.5839 Remote Similarity NPD8087 Discontinued
0.5839 Remote Similarity NPD3661 Approved
0.5828 Remote Similarity NPD4619 Approved
0.5828 Remote Similarity NPD4621 Approved
0.5827 Remote Similarity NPD4632 Approved
0.5804 Remote Similarity NPD8347 Approved
0.5804 Remote Similarity NPD8345 Approved
0.5804 Remote Similarity NPD8346 Approved
0.58 Remote Similarity NPD8449 Approved
0.5786 Remote Similarity NPD1000 Clinical (unspecified phase)
0.5782 Remote Similarity NPD8074 Phase 3
0.5781 Remote Similarity NPD5779 Approved
0.5781 Remote Similarity NPD5778 Approved
0.5762 Remote Similarity NPD8450 Suspended
0.5738 Remote Similarity NPD882 Phase 2
0.5738 Remote Similarity NPD883 Phase 2
0.5714 Remote Similarity NPD1376 Discontinued
0.5705 Remote Similarity NPD2628 Approved
0.5705 Remote Similarity NPD2160 Approved
0.5705 Remote Similarity NPD2159 Approved
0.5705 Remote Similarity NPD2626 Approved
0.5705 Remote Similarity NPD2625 Approved
0.5705 Remote Similarity NPD2627 Approved
0.5705 Remote Similarity NPD8384 Approved
0.5703 Remote Similarity NPD7983 Approved
0.5692 Remote Similarity NPD1698 Clinical (unspecified phase)
0.5685 Remote Similarity NPD7829 Approved
0.5685 Remote Similarity NPD7830 Approved
0.5685 Remote Similarity NPD7604 Phase 2
0.568 Remote Similarity NPD4249 Approved
0.5679 Remote Similarity NPD8389 Clinical (unspecified phase)
0.5672 Remote Similarity NPD8086 Approved
0.5672 Remote Similarity NPD8082 Approved
0.5672 Remote Similarity NPD8085 Approved
0.5672 Remote Similarity NPD8083 Approved
0.5672 Remote Similarity NPD8138 Approved
0.5672 Remote Similarity NPD8139 Approved
0.5672 Remote Similarity NPD8084 Approved
0.5667 Remote Similarity NPD5784 Clinical (unspecified phase)
0.5667 Remote Similarity NPD7751 Phase 1
0.5662 Remote Similarity NPD6008 Approved
0.5655 Remote Similarity NPD8267 Approved
0.5655 Remote Similarity NPD8269 Approved
0.5655 Remote Similarity NPD8444 Approved
0.5655 Remote Similarity NPD8268 Approved
0.5655 Remote Similarity NPD8266 Approved
0.5649 Remote Similarity NPD6309 Approved
0.5649 Remote Similarity NPD6310 Approved
0.5649 Remote Similarity NPD6311 Approved
0.5646 Remote Similarity NPD3132 Approved
0.5646 Remote Similarity NPD4216 Approved
0.5646 Remote Similarity NPD2612 Approved
0.5646 Remote Similarity NPD2610 Approved
0.5646 Remote Similarity NPD2609 Approved
0.5646 Remote Similarity NPD4218 Approved
0.5646 Remote Similarity NPD2611 Approved
0.5646 Remote Similarity NPD4215 Approved
0.5646 Remote Similarity NPD4217 Approved
0.5646 Remote Similarity NPD3131 Approved
0.5646 Remote Similarity NPD2608 Approved
0.5635 Remote Similarity NPD4251 Approved
0.5635 Remote Similarity NPD4250 Approved
0.5634 Remote Similarity NPD7755 Approved
0.5634 Remote Similarity NPD7754 Approved
0.563 Remote Similarity NPD8275 Approved
0.563 Remote Similarity NPD8276 Approved
0.5629 Remote Similarity NPD5204 Approved
0.5629 Remote Similarity NPD2101 Approved
0.5625 Remote Similarity NPD2117 Pre-registration
0.5625 Remote Similarity NPD2115 Approved
0.5625 Remote Similarity NPD2116 Approved
0.5625 Remote Similarity NPD2132 Phase 3
0.562 Remote Similarity NPD7899 Clinical (unspecified phase)
0.5615 Remote Similarity NPD5282 Discontinued
0.5608 Remote Similarity NPD7507 Approved

Structure

External Identifiers

PubChem CID   44444998
ChEMBL   CHEMBL398565
ZINC  

Physicochemical Properties

Molecular Weight:  401.22
ALogP:  -1.1763
MLogP:  3.33
XLogP:  -0.199
# Rotatable Bonds:  8
Polar Surface Area:  90.23
# H-Bond Aceptor:  6
# H-Bond Donor:  3
# Rings:  6
# Heavy Atoms:  29

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Similar NPs/Drugs