Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Reference: 12Target: 12Links: 36
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 30072
- Core Entity Id
- 36610
- Source Entity Count
- 1
- Preferred Name
- Piperine
- Name En
- Pubchem Id
- 638024
- Smiles Canonical
- O=C(/C=C/C=C/c1ccc2c(c1)OCO2)N1CCCCC1
- Molecular Formula
- C17H19NO3
- Molecular Weight
- 285.3430
- Inchikey
- MXXWOMGUGJBKIW-YPCIICBESA-N
- Inchi
- InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+
- Isomeric Smiles
- C1CCN(CC1)C(=O)/C=C/C=C/C2=CC3=C(C=C2)OCO3
- Cas Id
- 94-62-2
- Ob Score
- 42.5167
- Mol Logp
- 2.9972
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.6330
- Polar Surface Area
- 38.7700
- Molecular Volume
- 235.9800
- Alogp
- 2.8640
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Piperine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Piperine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Piperine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
piperine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
胡椒
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Piper nigrum
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-(1-piperidyl)penta-2,4-dien-1-one
Role
alias
Source
TCMBank
Preferred
No
Name
(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one
Role
alias
Source
TCMBank
Preferred
No
Name
(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidino-penta-2,4-dien-1-one
Role
alias
Source
TCMBank
Preferred
No
Name
(2Z,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one
Role
alias
Source
TCMBank
Preferred
No
Name
(2Z,4E)-5-(2H-1,3-BENZODIOXOL-5-YL)-1-(PIPERIDIN-1-YL)PENTA-2,4-DIEN-1-ONE
Role
alias
Source
TCMBank
Preferred
No
Name
(E,E) 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]piperidine
Role
alias
Source
TCMBank
Preferred
No
Name
(E,E)-1-piperoylpiperidine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E,E)-1-piperoylpiperidine
Role
alias
Source
HERB_v2
Preferred
No
Name
(E,E)-1-piperoylpiperidine
Role
alias
Source
TCMBank
Preferred
No
Name
1,3-Benzodioxol-5-yl-1-oxo-2,4-pentadienyl-piperine
Role
alias
Source
TCMBank
Preferred
No
Name
1-(5-(1,3-Benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)piperidine, (E,E)-
Role
alias
Source
TCMBank
Preferred
No
Name
1-PIPEROYL-(E,E)-PIPERIDINE
Role
alias
Source
TCMBank
Preferred
No
Name
1-Piperoyl-piperidine
Role
alias
Source
TCMBank
Preferred
No
Name
1-Piperoylpiperidine
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Piperoylpiperidine
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Piperoylpiperidine, (E,E)-
Role
alias
Source
TCMBank
Preferred
No
Name
1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]piperidine
Role
alias
Source
TCMBank
Preferred
No
Name
1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-2,4-pentadienoyl]piperidine
Role
alias
Source
TCMBank
Preferred
No
Name
1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoyl]piperidine
Role
alias
Source
TCMBank
Preferred
No
Name
1-[5-(3,4-Methylenedioxyphenyl)-1-oxo-2,4-pentadienyl]piperidine
Role
alias
Source
TCMBank
Preferred
No
Name
1-[5-(3,4-pentadienyl]piperidine
Role
alias
Source
TCMBank
Preferred
No
Name
147030-08-8
Role
alias
Source
TCMBank
Preferred
No
Name
30511-76-3
Role
alias
Source
TCMBank
Preferred
No
Name
5-(1,3-benzodioxol-5-yl)-1-(1-piperidyl)penta-2,4-dien-1-one
Role
alias
Source
TCMBank
Preferred
No
Name
5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one
Role
alias
Source
TCMBank
Preferred
No
Name
5-(1,3-benzodioxol-5-yl)-1-piperidino-penta-2,4-dien-1-one
Role
alias
Source
TCMBank
Preferred
No
Name
7780-20-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
7780-20-3
Role
alias
Source
HERB_v2
Preferred
No
Name
7780-20-3
Role
alias
Source
TCMBank
Preferred
No
Name
80810_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
94-62-2
Role
alias
Source
TCMBank
Preferred
No
Name
94-62-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
94-62-2
Role
alias
Source
HERB_v2
Preferred
No
Name
AC1LU7IP
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-01439
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS024972
Role
alias
Source
TCMBank
Preferred
No
Name
BPBio1_000670
Role
alias
Source
TCMBank
Preferred
No
Name
BSPBio_000608
Role
alias
Source
TCMBank
Preferred
No
Name
BSPBio_002515
Role
alias
Source
TCMBank
Preferred
No
Name
Bioperine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Bioperine
Role
alias
Source
HERB_v2
Preferred
No
Name
C03882
Role
alias
Source
TCMBank
Preferred
No
Name
CCRIS 5572
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:28821
Role
alias
Source
TCMBank
Preferred
No
Name
DivK1c_000954
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 202-348-0
Role
alias
Source
TCMBank
Preferred
No
Name
FEMA No. 2909
Role
alias
Source
TCMBank
Preferred
No
Name
FEMA No. 2909
Role
alias
Source
HERB_v2
Preferred
No
Name
FEMA No. 2909
Role
alias
Source
itcmdb_public
Preferred
No
Name
IDI1_000954
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3
Role
alias
Source
TCMBank
Preferred
No
Name
Isopiperine
Role
alias
Source
TCMBank
Preferred
No
Name
KBio1_000954
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_000803
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_003371
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_005939
Role
alias
Source
TCMBank
Preferred
No
Name
KBio3_002015
Role
alias
Source
TCMBank
Preferred
No
Name
KBioGR_001235
Role
alias
Source
TCMBank
Preferred
No
Name
KBioSS_000803
Role
alias
Source
TCMBank
Preferred
No
Name
N-[(E,E)-piperoyl]-piperidine
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00094872-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00094872-02
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00094872-03
Role
alias
Source
TCMBank
Preferred
No
Name
NINDS_000954
Role
alias
Source
TCMBank
Preferred
No
Name
NSC21727
Role
alias
Source
TCMBank
Preferred
No
Name
NSC242267
Role
alias
Source
TCMBank
Preferred
No
Name
P49007_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-, (E,E)- (9CI)
Role
alias
Source
TCMBank
Preferred
No
Name
Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-, (Z,E)-
Role
alias
Source
TCMBank
Preferred
No
Name
Piperidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-
Role
alias
Source
TCMBank
Preferred
No
Name
Piperidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-, (E,E)-
Role
alias
Source
TCMBank
Preferred
No
Name
Piperidine, 1-[5-(3,4-methylenedioxyphenyl)-1-oxo-2,4-pentadienyl]-
Role
alias
Source
TCMBank
Preferred
No
Name
Piperidine, 1-piperoyl-, (E,E)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Piperidine, 1-piperoyl-, (E,E)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Piperidine, 1-piperoyl-, (E,E)-
Role
alias
Source
TCMBank
Preferred
No
Name
Piperidine,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-
Role
alias
Source
TCMBank
Preferred
No
Name
Piperidine,4-methylenedioxyphenyl)-1-oxo-2,4-pentadienyl]-
Role
alias
Source
TCMBank
Preferred
No
Name
Piperin
Role
alias
Source
TCMBank
Preferred
No
Name
Piperin
Role
alias
Source
HERB_v2
Preferred
No
Name
Piperin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Piperine (aliphatic)
Role
alias
Source
TCMBank
Preferred
No
Name
Piperoylpiperidine
Role
alias
Source
TCMBank
Preferred
No
Name
Piperoylpiperidine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Piperoylpiperidine
Role
alias
Source
HERB_v2
Preferred
No
Name
Prestwick0_000474
Role
alias
Source
TCMBank
Preferred
No
Name
Prestwick1_000474
Role
alias
Source
TCMBank
Preferred
No
Name
Prestwick2_000474
Role
alias
Source
TCMBank
Preferred
No
Name
Prestwick3_000474
Role
alias
Source
TCMBank
Preferred
No
Name
Prestwick_398
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL14171509
Role
alias
Source
TCMBank
Preferred
No
Name
SDCCGMLS-0066693.P001
Role
alias
Source
TCMBank
Preferred
No
Name
SPBio_000177
Role
alias
Source
TCMBank
Preferred
No
Name
SPBio_002547
Role
alias
Source
TCMBank
Preferred
No
Name
SPECTRUM1500873
Role
alias
Source
TCMBank
Preferred
No
Name
SR-01000638580-1
Role
alias
Source
TCMBank
Preferred
No
Name
ST5307921
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum2_000049
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum3_000868
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum4_000708
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum5_001507
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum_000323
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-Z3C7H03C5M
Role
alias
Source
TCMBank
Preferred
No
Name
W290904_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
Z3C7H03C5M
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC01529772
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC5945454
Role
alias
Source
TCMBank
Preferred
No
Name
piperidine, 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-
Role
alias
Source
TCMBank
Preferred
No
Name
piperine
Role
alias
Source
TCMBank
Preferred
No
Name
17.温里药(11-13)
Role
level1_name
Source
TCMBank
Preferred
No
Name
interior-warming medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
几内亚胡椒
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JI NEI YA HU JIAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Ashanti Pepper
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
胡椒Piper nigrum(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-(1-piperidyl)penta-2,4-dien-1-one(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidino-penta-2,4-dien-1-one(2Z,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one(2Z,4E)-5-(2H-1,3-BENZODIOXOL-5-YL)-1-(PIPERIDIN-1-YL)PENTA-2,4-DIEN-1-ONE(E,E) 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]piperidine(E,E)-1-piperoylpiperidine1,3-Benzodioxol-5-yl-1-oxo-2,4-pentadienyl-piperine1-(5-(1,3-Benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)piperidine, (E,E)-1-PIPEROYL-(E,E)-PIPERIDINE1-Piperoyl-piperidine1-Piperoylpiperidine1-Piperoylpiperidine, (E,E)-1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]piperidine1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-2,4-pentadienoyl]piperidine1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoyl]piperidine1-[5-(3,4-Methylenedioxyphenyl)-1-oxo-2,4-pentadienyl]piperidine1-[5-(3,4-pentadienyl]piperidine147030-08-830511-76-35-(1,3-benzodioxol-5-yl)-1-(1-piperidyl)penta-2,4-dien-1-one5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one5-(1,3-benzodioxol-5-yl)-1-piperidino-penta-2,4-dien-1-one7780-20-380810_FLUKA94-62-2AC1LU7IPAI3-01439AIDS024972BPBio1_000670BSPBio_000608BSPBio_002515BioperineC03882CCRIS 5572CHEBI:28821DivK1c_000954EINECS 202-348-0FEMA No. 2909IDI1_000954InChI=1/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3IsopiperineKBio1_000954KBio2_000803KBio2_003371KBio2_005939KBio3_002015KBioGR_001235KBioSS_000803N-[(E,E)-piperoyl]-piperidineNCGC00094872-01NCGC00094872-02NCGC00094872-03NINDS_000954NSC21727NSC242267P49007_ALDRICHPiperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-, (E,E)- (9CI)Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-, (Z,E)-Piperidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-Piperidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-, (E,E)-Piperidine, 1-[5-(3,4-methylenedioxyphenyl)-1-oxo-2,4-pentadienyl]-Piperidine, 1-piperoyl-, (E,E)-Piperidine,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-Piperidine,4-methylenedioxyphenyl)-1-oxo-2,4-pentadienyl]-PiperinPiperine (aliphatic)PiperoylpiperidinePrestwick0_000474Prestwick1_000474Prestwick2_000474Prestwick3_000474Prestwick_398SCHEMBL14171509SDCCGMLS-0066693.P001SPBio_000177SPBio_002547SPECTRUM1500873SR-01000638580-1ST5307921Spectrum2_000049Spectrum3_000868Spectrum4_000708Spectrum5_001507Spectrum_000323UNII-Z3C7H03C5MW290904_ALDRICHZ3C7H03C5MZINC01529772ZINC5945454piperidine, 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-17.温里药(11-13)interior-warming medicinal几内亚胡椒JI NEI YA HU JIAOAshanti Pepper
Cross References
Trusted external identifiers retained for this final record.
Cas
94-62-2
Hit
C0315
Herb
HBIN040071
Npass
NPC136330
Tcmid
17437
Tcmsp
MOL001592
Sym Map
SMIT00114
Tcm Id
1107111072110731107411075110761107711078110791108011188111891431315130152781602916103162116996
Pub Chem
638024
Tcmbank
TCMBANKIN036842TCMBANKIN054038
Itcmdb Generated
ITX-INGREDIENT-4C34C3A14FDF
Attributes
Merged source attributes and domain-specific metadata.
Ic
3.43993
Jx
1.50934
Jy
1.57554
Bic
0.7081
Cic
0.95238
Phi
4.47847
Sic
0.78317
Log D
2.864
Sc 0
21
Sc 1
23
Sc 2
30
Type
Other ingredients,QC ingredients
Alog P
2.864
Chi 0
14.4934
Chi 1
10.3265
Chi 2
8.78997
In Ch I
InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+
Mol Wt
285.3430000000001
Pmi X
53.0187
Cas Id
94-62-2
Energy
33.65
Sc 3 C
5
Sc 3 P
38
Smiles
c12c(OC([H])([H])O1)c([H])c([H])c(\C([H])=C([H])\C([H])=C([H])\C(=O)N3C([H])([H])C([H])([H])C([H])([H])C([H])([H])C3([H])[H])c2[H]
Zagreb
106
37 Flag
37
Chi 3 C
0.93982
Chi 3 P
7.37468
Chi V 0
11.956
Chi V 1
7.36116
Chi V 2
5.21687
C Count
17
Kappa 1
15.879
Kappa 2
8.02222
Kappa 3
4.48753
Mol Log P
2.997200000000001
N Count
1
O Count
3
P Count
0
Sc 3 Ch
0
S Count
0
Version
v1,v2
Alog P Mr
82.977
Chi 3 Ch
0
Dipole X
2.02864
Dipole Y
-5.01381
Dipole Z
0.06009
Iac Mean
1.44811
In Ch Ikey
MXXWOMGUGJBKIW-YPCIICBESA-N
Is Chiral
0
Ob Score
42.51674442.5167441842.517
Suppress
0
Tcm Name
胡椒
Admet Bbb
0.122
Chi V 3 C
0.37858
Chi V 3 P
3.70294
Es Sum D O
11.931
Es Sum T N
0
E Adj Equ
269.87
E Adj Mag
354.413
Hba Count
3
Hbd Count
0
Iac Total
57.9247
Jurs Rasa
0.80581
Jurs Rncg
0.19432
Jurs Rncs
4.83044
Jurs Rpcg
0.37007
Jurs Rpcs
3.21776
Jurs Rpsa
0.19418
Jurs Sasa
498.449
Jurs Tasa
401.658
Jurs Tpsa
96.7912
Num Atoms
21
Num Bonds
23
Num Rings
3
Shadow Xy
83.19
Shadow Xz
55.4298
Shadow Yz
21.3628
Shadow Nu
4.44889
Tcm Name2
JI NEI YA HU JIAO
V Adj Equ
212.785
V Adj Mag
254.084
Mol2 Path
/TCM_database/17.温里药(11-13)/胡椒/structure/piperine.mol2
Reference
6, 658, 4482, 4753,4935, 5501, 5507, 5508
Chi V 3 Ch
0
Dipole Mag
5.40899
Es Sum Aa N
0
Es Sum Aa O
0
Es Sum D Nh
0
Es Sum Dd C
0
Es Sum Ds N
0
Es Sum S Oh
0
Es Sum Ss O
10.595
Es Sum T Ch
0
Es Sum Ts C
0
Kappa 1 Am
14.0453
Kappa 2 Am
6.69605
Kappa 3 Am
3.59564
Num Hdonors
0
Num Chains
2
Num Rings3
0
Num Rings4
0
Num Rings5
1
Num Rings6
2
Num Rings7
0
Num Rings8
0
Es Count D O
1
Es Count T N
0
Es Sum Aa Ch
5.785
Es Sum Aa Nh
0
Es Sum Aaa C
0
Es Sum Aas C
2.572
Es Sum Aas N
0
Es Sum D Ch2
0
Es Sum Dds N
0
Es Sum Ds Ch
7.247
Es Sum Dss C
0.101
Es Sum S Ch3
0
Es Sum S Nh2
0
Es Sum S Nh3
0
Es Sum Ss Nh
0
Es Sum Sss N
1.911
Jurs Dpsa 1
-210.067
Jurs Dpsa 3
49.7228
Jurs Fnsa 1
0.71072
Jurs Fnsa 2
-1.15558
Jurs Fnsa 3
-0.07509
Jurs Fpsa 1
0.28927
Jurs Fpsa 2
0.18617
Jurs Fpsa 3
0.02466
Jurs Pnsa 1
354.258
Jurs Pnsa 2
-575.995
Jurs Pnsa 3
-37.4274
Jurs Ppsa 1
144.191
Jurs Ppsa 3
12.2954
Jurs Wnsa 1
176.58
Jurs Wnsa 2
-287.104
Jurs Wnsa 3
-18.6557
Jurs Wpsa 1
71.872
Jurs Wpsa 3
6.12863
Num Pi Bonds
0
Tcm Name En
Piper nigrum
Level1 Name
17.温里药(11-13)
Admet Psa 2 D
38.513
Es Count Aa N
0
Es Count Aa O
0
Es Count D Nh
0
Es Count Dd C
0
Es Count Ds N
0
Es Count S Oh
0
Es Count Ss O
2
Es Count T Ch
0
Es Count Ts C
0
Es Sum Ss Ch2
5.521
Es Sum Ss Nh2
0
Es Sum Sss Ch
0
Es Sum Sss Nh
0
Es Sum Ssss C
0
Es Sum Ssss N
0
Nplus O Count
4
Num H Donors
0
Admet Alog P98
2.864
Admet Ext Ppb
4.96323
Drug Likeness
0.633
Es Count Aa Ch
3
Es Count Aa Nh
0
Es Count Aaa C
0
Es Count Aas C
3
Es Count Aas N
0
Es Count D Ch2
0
Es Count Dds N
0
Es Count Ds Ch
4
Es Count Dss C
1
Es Count S Ch3
0
Es Count S Nh2
0
Es Count S Nh3
0
Es Count Ss Nh
0
Es Count Sss N
1
Es Sum Sssss P
0
Num Hacceptors
3
Num Fragments
1
Num Hydrogens
19
Num Ring Bonds
16
Organic Count
21
Rad Of Gyration
4.80812
Shadow Xyfrac
0.63873
Shadow Xzfrac
0.77566
Shadow Yzfrac
0.72972
Strain Energy
23.87
Es Count Ss Ch2
6
Es Count Ss Nh2
0
Es Count Sss Ch
0
Es Count Sss Nh
0
Es Count Ssss C
0
Es Count Ssss N
0
Molecular Mass
285.136
Molecular Sasa
509.026
Num Metal Atoms
0
Num Rings9 Plus
0
Shadow Xlength
17.8304
Shadow Ylength
7.30442
Shadow Zlength
4.00783
Level1 Name En
interior-warming medicinal
Admet Bbb Level
1
Isomeric Smiles
C1CCN(CC1)C(=O)/C=C/C=C/C2=CC3=C(C=C2)OCO3
Molecular Savol
447.297
Molecule Weight
285.37
Num Atom Classes
19
Num Bridge Bonds
0
Num H Acceptors
3
Num Repeat Units
0
Admet Ext Cyp2 D6
-6.62793
Admet Solubility
-3.853
Canonical Smiles
C1CCN(CC1)C(=O)C=CC=CC2=CC3=C(C=C2)OCO3
Herb Alias Names
94-62-21-PiperoylpiperidinePiperinBioperine7780-20-3PiperoylpiperidineFEMA No. 2909(E,E)-1-piperoylpiperidinePiperidine, 1-piperoyl-, (E,E)-
Minimized Energy
9.78
Molecular Volume
235.98
Molecular Weight
285.338
Molecule Formula
C17H19NO3
Num Macro Chains
0
Molecular Formula
C17H19NO3
Molecular Formula
C17H19NO3
Num Rotatable Bonds
3
Num Aromatic Bonds
6
Num Aromatic Rings
1
Num Explicit Atoms
21
Num Explicit Bonds
23
Num Negative Atoms
0
Num Positive Atoms
0
Num Macro Residues
0
Num Ring Assemblies
2
Num Rotatable Bonds
3
Molecular Polar Sasa
50.6771
Num Bridge Head Atoms
0
Num Chain Assemblies
1
Num Meso Stereo Atoms
0
Molecular Solubility
-3.857
Admet Ext Hepatotoxic
-4.51305
Admet Unknown Alog P98
0
Molecular Surface Area
293.28
Num Explicit Hydrogens
0
Num H Donors Lipinski
0
Num Pseudo Stereo Atoms
0
Admet Absorption Level
0
Admet Solubility Level
3
Admet Ext Ppb#Prediction
1
Num H Acceptors Lipinski
4
Molecular Polar Surface Area
38.77
Admet Ext Cyp2 D6#Prediction
0
Molecular Fractional Polar Sasa
0.099
Admet Ext Ppb Applicability#Md
12.114
Admet Ext Hepatotoxic#Prediction
0
Admet Ext Cyp2 D6 Applicability#Md
12.1576
Admet Ext Ppb Applicability#Mdpvalue
0.072882
Molecular Fractional Polar Surface Area
0.132
Admet Ext Hepatotoxic Applicability#Md
10.3269
Admet Ext Cyp2 D6 Applicability#Mdpvalue
0.002092
Admet Ext Hepatotoxic Applicability#Mdpvalue
0.04205