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Herb: 12Ingredient: 1Target: 12Links: 24
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 30139
- Core Entity Id
- 36685
- Source Entity Count
- 1
- Preferred Name
- Pka
- Name En
- Pubchem Id
- 32775
- Smiles Canonical
- [CH]CCCCC(=O)[N]
- Molecular Formula
- C6H9NO
- Molecular Weight
- 111.1440
- Inchikey
- LCJRHAPPMIUHLH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C6H9NO/c1-2-3-4-5-6(7)8/h1H,2-5H2
- Isomeric Smiles
- [CH]CCCCC(=O)[N]
- Cas Id
- 628-02-4
- Ob Score
- 59.1848
- Mol Logp
- 0.8532
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.4960
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Pka
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
PKA
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
PKA
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Pka
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Pka
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Pka
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
25038-54-4
Role
alias
Source
TCMBank
Preferred
No
Name
293393_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
4-02-00-00929 (Beilstein Handbook Reference)
Role
alias
Source
TCMBank
Preferred
No
Name
6-Aminohexanoic acid homopolymer
Role
alias
Source
TCMBank
Preferred
No
Name
628-02-4
Role
alias
Source
TCMBank
Preferred
No
Name
A 1030
Role
alias
Source
TCMBank
Preferred
No
Name
A 1030N0
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-19495
Role
alias
Source
TCMBank
Preferred
No
Name
ATM 2 (nylon)
Role
alias
Source
TCMBank
Preferred
No
Name
Akulon
Role
alias
Source
TCMBank
Preferred
No
Name
Akulon M 2W
Role
alias
Source
TCMBank
Preferred
No
Name
Alkamid
Role
alias
Source
TCMBank
Preferred
No
Name
Amilan CM 1001
Role
alias
Source
TCMBank
Preferred
No
Name
Amilan CM 1001C
Role
alias
Source
TCMBank
Preferred
No
Name
Amilan CM 1001G
Role
alias
Source
TCMBank
Preferred
No
Name
Amilan CM 1011
Role
alias
Source
TCMBank
Preferred
No
Name
Amilan CM 1031
Role
alias
Source
TCMBank
Preferred
No
Name
Aviamide-6
Role
alias
Source
TCMBank
Preferred
No
Name
B-203
Role
alias
Source
TCMBank
Preferred
No
Name
B-216
Role
alias
Source
TCMBank
Preferred
No
Name
B-300
Role
alias
Source
TCMBank
Preferred
No
Name
B-35
Role
alias
Source
TCMBank
Preferred
No
Name
B-350
Role
alias
Source
TCMBank
Preferred
No
Name
BRN 1741923
Role
alias
Source
TCMBank
Preferred
No
Name
Bonamid
Role
alias
Source
TCMBank
Preferred
No
Name
CCRIS 4822
Role
alias
Source
TCMBank
Preferred
No
Name
CM 1001
Role
alias
Source
TCMBank
Preferred
No
Name
CM 1011
Role
alias
Source
TCMBank
Preferred
No
Name
CM 1031
Role
alias
Source
TCMBank
Preferred
No
Name
CM 1041
Role
alias
Source
TCMBank
Preferred
No
Name
Capran 77C
Role
alias
Source
TCMBank
Preferred
No
Name
Capran 80
Role
alias
Source
TCMBank
Preferred
No
Name
Caproamide
Role
alias
Source
TCMBank
Preferred
No
Name
Caproamide polymer
Role
alias
Source
TCMBank
Preferred
No
Name
Caprolactam oligomer
Role
alias
Source
TCMBank
Preferred
No
Name
Caprolactam polymer
Role
alias
Source
TCMBank
Preferred
No
Name
Caprolon B
Role
alias
Source
TCMBank
Preferred
No
Name
Caprolon V
Role
alias
Source
TCMBank
Preferred
No
Name
Capron
Role
alias
Source
TCMBank
Preferred
No
Name
Capron 8250
Role
alias
Source
TCMBank
Preferred
No
Name
Capron 8252
Role
alias
Source
TCMBank
Preferred
No
Name
Capron 8253
Role
alias
Source
TCMBank
Preferred
No
Name
Capron 8256
Role
alias
Source
TCMBank
Preferred
No
Name
Capron B
Role
alias
Source
TCMBank
Preferred
No
Name
Capron GR 8256
Role
alias
Source
TCMBank
Preferred
No
Name
Capron GR 8257
Role
alias
Source
TCMBank
Preferred
No
Name
Capron GR 8258
Role
alias
Source
TCMBank
Preferred
No
Name
Capron PK 4
Role
alias
Source
TCMBank
Preferred
No
Name
Capronamide
Role
alias
Source
TCMBank
Preferred
No
Name
Chemlon
Role
alias
Source
TCMBank
Preferred
No
Name
DULL 704
Role
alias
Source
TCMBank
Preferred
No
Name
Danamid
Role
alias
Source
TCMBank
Preferred
No
Name
Durethan BK
Role
alias
Source
TCMBank
Preferred
No
Name
Durethan BK 30S
Role
alias
Source
TCMBank
Preferred
No
Name
Durethan BKV 30H
Role
alias
Source
TCMBank
Preferred
No
Name
Durethan BKV 55H
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 211-024-8
Role
alias
Source
TCMBank
Preferred
No
Name
Ertalon 6SA
Role
alias
Source
TCMBank
Preferred
No
Name
Extron 6N
Role
alias
Source
TCMBank
Preferred
No
Name
Grilon
Role
alias
Source
TCMBank
Preferred
No
Name
HSDB 5509
Role
alias
Source
TCMBank
Preferred
No
Name
Hexahydro-2H-azepin-2-one homopolymer
Role
alias
Source
TCMBank
Preferred
No
Name
Hexamide
Role
alias
Source
TCMBank
Preferred
No
Name
Hexamide (VAN)
Role
alias
Source
TCMBank
Preferred
No
Name
Hexanamide
Role
alias
Source
TCMBank
Preferred
No
Name
Hexanoamide
Role
alias
Source
TCMBank
Preferred
No
Name
Hexylamide
Role
alias
Source
TCMBank
Preferred
No
Name
Itamid
Role
alias
Source
TCMBank
Preferred
No
Name
Itamid 250
Role
alias
Source
TCMBank
Preferred
No
Name
Itamide 25
Role
alias
Source
TCMBank
Preferred
No
Name
Itamide 250
Role
alias
Source
TCMBank
Preferred
No
Name
Itamide 250G
Role
alias
Source
TCMBank
Preferred
No
Name
Itamide 35
Role
alias
Source
TCMBank
Preferred
No
Name
Itamide 350
Role
alias
Source
TCMBank
Preferred
No
Name
Itamide S
Role
alias
Source
TCMBank
Preferred
No
Name
KS 30P
Role
alias
Source
TCMBank
Preferred
No
Name
Kaprolit
Role
alias
Source
TCMBank
Preferred
No
Name
Kaprolit B
Role
alias
Source
TCMBank
Preferred
No
Name
Kaprolon
Role
alias
Source
TCMBank
Preferred
No
Name
Kaprolon B
Role
alias
Source
TCMBank
Preferred
No
Name
Kapromin
Role
alias
Source
TCMBank
Preferred
No
Name
Kapron
Role
alias
Source
TCMBank
Preferred
No
Name
Kapron A
Role
alias
Source
TCMBank
Preferred
No
Name
Kapron B
Role
alias
Source
TCMBank
Preferred
No
Name
Maranyl F 114
Role
alias
Source
TCMBank
Preferred
No
Name
Maranyl F 124
Role
alias
Source
TCMBank
Preferred
No
Name
Maranyl F 500
Role
alias
Source
TCMBank
Preferred
No
Name
Metamid
Role
alias
Source
TCMBank
Preferred
No
Name
Miramid H 2
Role
alias
Source
TCMBank
Preferred
No
Name
Miramid WM 55
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00091313-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCI-C02142
Role
alias
Source
TCMBank
Preferred
No
Name
NSC8437
Role
alias
Source
TCMBank
Preferred
No
Name
Nylon
Role
alias
Source
TCMBank
Preferred
No
Name
Nylon A1035SF
Role
alias
Source
TCMBank
Preferred
No
Name
Nylon CM 1031
Role
alias
Source
TCMBank
Preferred
No
Name
Nylon X 1051
Role
alias
Source
TCMBank
Preferred
No
Name
Nylon-6
Role
alias
Source
TCMBank
Preferred
No
Name
Orgamid rmnocd
Role
alias
Source
TCMBank
Preferred
No
Name
Orgamide
Role
alias
Source
TCMBank
Preferred
No
Name
P 6 (Polyamide)
Role
alias
Source
TCMBank
Preferred
No
Name
PA 6 (Polymer)
Role
alias
Source
TCMBank
Preferred
No
Name
PK 4
Role
alias
Source
TCMBank
Preferred
No
Name
Plaskin 8200
Role
alias
Source
TCMBank
Preferred
No
Name
Plaskon 201
Role
alias
Source
TCMBank
Preferred
No
Name
Plaskon 8201
Role
alias
Source
TCMBank
Preferred
No
Name
Plaskon 8201HS
Role
alias
Source
TCMBank
Preferred
No
Name
Plaskon 8202C
Role
alias
Source
TCMBank
Preferred
No
Name
Plaskon 8205
Role
alias
Source
TCMBank
Preferred
No
Name
Plaskon 8207
Role
alias
Source
TCMBank
Preferred
No
Name
Plaskon 8252
Role
alias
Source
TCMBank
Preferred
No
Name
Plaskon XP 607
Role
alias
Source
TCMBank
Preferred
No
Name
Policapram
Role
alias
Source
HERB_v2
Preferred
No
Name
Policapram
Role
alias
Source
itcmdb_public
Preferred
No
Name
Policapram [USAN:INN]
Role
alias
Source
TCMBank
Preferred
No
Name
Policapramum [INN-Latin]
Role
alias
Source
TCMBank
Preferred
No
Name
Policapran
Role
alias
Source
TCMBank
Preferred
No
Name
Poly(epsilon-aminocaproic acid)
Role
alias
Source
TCMBank
Preferred
No
Name
Poly(hexahydro-2H-azepin-2-one)
Role
alias
Source
TCMBank
Preferred
No
Name
Poly(imino(1-oxo-1,6 hexanediyl))
Role
alias
Source
TCMBank
Preferred
No
Name
Poly(iminocarbonylpentamethylene)
Role
alias
Source
TCMBank
Preferred
No
Name
Polyamide 6
Role
alias
Source
TCMBank
Preferred
No
Name
Polycaproamide
Role
alias
Source
TCMBank
Preferred
No
Name
Polycaprolactam
Role
alias
Source
TCMBank
Preferred
No
Name
Relon P
Role
alias
Source
TCMBank
Preferred
No
Name
Renyl MV
Role
alias
Source
TCMBank
Preferred
No
Name
Sipas 60
Role
alias
Source
TCMBank
Preferred
No
Name
Spencer 401
Role
alias
Source
TCMBank
Preferred
No
Name
Spencer 601
Role
alias
Source
TCMBank
Preferred
No
Name
TNK 2G5
Role
alias
Source
TCMBank
Preferred
No
Name
Tarlon X-A
Role
alias
Source
TCMBank
Preferred
No
Name
Tarlon XB
Role
alias
Source
TCMBank
Preferred
No
Name
Tarnamid T
Role
alias
Source
TCMBank
Preferred
No
Name
Tarnamid T 2
Role
alias
Source
TCMBank
Preferred
No
Name
Tarpamid T 27
Role
alias
Source
TCMBank
Preferred
No
Name
Torayca N 6
Role
alias
Source
TCMBank
Preferred
No
Name
UBE 1022B
Role
alias
Source
TCMBank
Preferred
No
Name
Ultramid B 3
Role
alias
Source
TCMBank
Preferred
No
Name
Ultramid B 4
Role
alias
Source
TCMBank
Preferred
No
Name
Ultramid B 5
Role
alias
Source
TCMBank
Preferred
No
Name
Ultramid BMK
Role
alias
Source
TCMBank
Preferred
No
Name
Vidlon
Role
alias
Source
TCMBank
Preferred
No
Name
Widlon
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC01586742
Role
alias
Source
TCMBank
Preferred
No
Name
Zytel 211
Role
alias
Source
TCMBank
Preferred
No
Name
epsilon-Caprolactam polymer
Role
alias
Source
TCMBank
Preferred
No
Name
epsilon-Caprolactam polymere [German]
Role
alias
Source
TCMBank
Preferred
No
Name
for column chromatography,100-200 mesh
Role
alias
Source
HERB_v2
Preferred
No
Name
for column chromatography,100-200 mesh
Role
alias
Source
itcmdb_public
Preferred
No
Name
n-Caproamide
Role
alias
Source
TCMBank
Preferred
No
Name
n-Hexanamide
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
25038-54-4293393_ALDRICH4-02-00-00929 (Beilstein Handbook Reference)6-Aminohexanoic acid homopolymer628-02-4A 1030A 1030N0AI3-19495ATM 2 (nylon)AkulonAkulon M 2WAlkamidAmilan CM 1001Amilan CM 1001CAmilan CM 1001GAmilan CM 1011Amilan CM 1031Aviamide-6B-203B-216B-300B-35B-350BRN 1741923BonamidCCRIS 4822CM 1001CM 1011CM 1031CM 1041Capran 77CCapran 80CaproamideCaproamide polymerCaprolactam oligomerCaprolactam polymerCaprolon BCaprolon VCapronCapron 8250Capron 8252Capron 8253Capron 8256Capron BCapron GR 8256Capron GR 8257Capron GR 8258Capron PK 4CapronamideChemlonDULL 704DanamidDurethan BKDurethan BK 30SDurethan BKV 30HDurethan BKV 55HEINECS 211-024-8Ertalon 6SAExtron 6NGrilonHSDB 5509Hexahydro-2H-azepin-2-one homopolymerHexamideHexamide (VAN)HexanamideHexanoamideHexylamideItamidItamid 250Itamide 25Itamide 250Itamide 250GItamide 35Itamide 350Itamide SKS 30PKaprolitKaprolit BKaprolonKaprolon BKaprominKapronKapron AKapron BMaranyl F 114Maranyl F 124Maranyl F 500MetamidMiramid H 2Miramid WM 55NCGC00091313-01NCI-C02142NSC8437NylonNylon A1035SFNylon CM 1031Nylon X 1051Nylon-6Orgamid rmnocdOrgamideP 6 (Polyamide)PA 6 (Polymer)PK 4Plaskin 8200Plaskon 201Plaskon 8201Plaskon 8201HSPlaskon 8202CPlaskon 8205Plaskon 8207Plaskon 8252Plaskon XP 607PolicapramPolicapram [USAN:INN]Policapramum [INN-Latin]PolicapranPoly(epsilon-aminocaproic acid)Poly(hexahydro-2H-azepin-2-one)Poly(imino(1-oxo-1,6 hexanediyl))Poly(iminocarbonylpentamethylene)Polyamide 6PolycaproamidePolycaprolactamRelon PRenyl MVSipas 60Spencer 401Spencer 601TNK 2G5Tarlon X-ATarlon XBTarnamid TTarnamid T 2Tarpamid T 27Torayca N 6UBE 1022BUltramid B 3Ultramid B 4Ultramid B 5Ultramid BMKVidlonWidlonZINC01586742Zytel 211epsilon-Caprolactam polymerepsilon-Caprolactam polymere [German]for column chromatography,100-200 meshn-Caproamiden-Hexanamide
Cross References
Trusted external identifiers retained for this final record.
Cas
628-02-4
Herb
HBIN040155
Tcmsp
MOL010879
Sym Map
SMIT11853
Pub Chem
32775
Tcmbank
TCMBANKIN008877
Etcm Ingredient
PKA
Itcmdb Generated
ITX-INGREDIENT-AE3B5E67B55C
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C6H9NO/c1-2-3-4-5-6(7)8/h1H,2-5H2
Mol Wt
111.144
Cas Id
628-02-4
Smiles
[CH]CCCCC(=O)[N]
Mol Log P
0.8531899999999999
Version
v1,v2
In Ch Ikey
LCJRHAPPMIUHLH-UHFFFAOYSA-N
Ob Score
59.1847748859.18477559.185
Suppress
0
Num Hdonors
0
Drug Likeness
0.496
Num Hacceptors
1
Isomeric Smiles
[CH]CCCCC(=O)[N]
Molecule Weight
115.2
Canonical Smiles
[CH]CCCCC(=O)[N]
Herb Alias Names
Policapramfor column chromatography,100-200 mesh
Molecular Weight
115.100
Molecular Weight
115.17
Molecular Formula
C6H13NO
Molecular Formula
C6H13NO
Molecular Formula
C6H9NO
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.014
Quantitative Estimate Of Drug Likeness（Qed）
0.547