Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 11437
- Core Entity Id
- 15880
- Source Entity Count
- 1
- Preferred Name
- Armatamide
- Name En
- Pubchem Id
- 5320157
- Smiles Canonical
- COC1=CC=C(C=C1)CCNC(=O)C=CC2=CC3=C(C=C2)OCO3
- Molecular Formula
- C19H19NO4
- Molecular Weight
- 325.3640
- Inchikey
- ZDVBEJSAKORDPK-WEVVVXLNSA-N
- Inchi
- InChI=1S/C19H19NO4/c1-22-16-6-2-14(3-7-16)10-11-20-19(21)9-5-15-4-8-17-18(12-15)24-13-23-17/h2-9,12H,10-11,13H2,1H3,(H,20,21)/b9-5+
- Isomeric Smiles
- COC1=CC=C(C=C1)CCNC(=O)/C=C/C2=CC3=C(C=C2)OCO3
- Cas Id
- Ob Score
- Mol Logp
- 2.7960
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.8300
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Armatamide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Armatamide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Armatamide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Armatamide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
花椒
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Zanthoxylum sp. (Rutaceae)
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
(E)-3-(1,3-benzodioxol-5-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-3-(1,3-benzodioxol-5-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(1,3-benzodioxol-5-yl)-N-[2-(4-methoxyphenyl)ethyl]acrylamide
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(1,3-benzodioxol-5-yl)-N-[2-(4-methoxyphenyl)ethyl]acrylamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
6459-34-3
Role
alias
Source
HERB_v2
Preferred
No
Name
6459-34-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1NSZ4C
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1NSZ4C
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS002960872
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS002960872
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID00415771
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID00415771
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL1617706
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL1617706
Role
alias
Source
itcmdb_public
Preferred
No
Name
SR-01000235100
Role
alias
Source
HERB_v2
Preferred
No
Name
SR-01000235100
Role
alias
Source
itcmdb_public
Preferred
No
Name
SR-01000235100-1
Role
alias
Source
HERB_v2
Preferred
No
Name
SR-01000235100-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
STL122178
Role
alias
Source
HERB_v2
Preferred
No
Name
STL122178
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
花椒Zanthoxylum sp. (Rutaceae)(E)-3-(1,3-benzodioxol-5-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide3-(1,3-benzodioxol-5-yl)-N-[2-(4-methoxyphenyl)ethyl]acrylamide6459-34-3AC1NSZ4CAKOS002960872DTXSID00415771SCHEMBL1617706SR-01000235100SR-01000235100-1STL122178
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN016852
Npass
NPC97683
Tcmid
1737
Pub Chem
5320157
Tcmbank
TCMBANKIN037112
Etcm Ingredient
Armatamide
Itcmdb Generated
ITX-INGREDIENT-0758AD520600
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H19NO4/c1-22-16-6-2-14(3-7-16)10-11-20-19(21)9-5-15-4-8-17-18(12-15)24-13-23-17/h2-9,12H,10-11,13H2,1H3,(H,20,21)/b9-5+
Mol Wt
325.3640000000001
Mol Log P
2.796000000000001
In Ch Ikey
ZDVBEJSAKORDPK-WEVVVXLNSA-N
Tcm Name
花椒
Tcm Name2
Zanthoxylum sp. (Rutaceae)
Mol2 Path
/TCM_database/2007_3d_all/01737.mol2
Reference
1521, 2176
Num Hdonors
1
Drug Likeness
0.83
Num Hacceptors
4
Isomeric Smiles
COC1=CC=C(C=C1)CCNC(=O)/C=C/C2=CC3=C(C=C2)OCO3
Canonical Smiles
COC1=CC=C(C=C1)CCNC(=O)C=CC2=CC3=C(C=C2)OCO3
Herb Alias Names
6459-34-3AC1NSZ4CSCHEMBL1617706DTXSID00415771STL122178(E)-3-(1,3-benzodioxol-5-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamideAKOS002960872SR-01000235100SR-01000235100-13-(1,3-benzodioxol-5-yl)-N-[2-(4-methoxyphenyl)ethyl]acrylamide
Molecular Weight
325.130
Molecular Weight
325.4 g/mol
Molecular Formula
C19H19NO4
Molecular Formula
C19H19NO4
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.871
Quantitative Estimate Of Drug Likeness（Qed）
0.830