Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 11Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 27104
- Core Entity Id
- 33313
- Source Entity Count
- 1
- Preferred Name
- Nantoamide
- Name En
- Pubchem Id
- 669595
- Smiles Canonical
- C1OC2=C(O1)C=C(C=C2)C(=O)NCCC3=CC=CC=C3
- Molecular Formula
- C16H15NO3
- Molecular Weight
- 269.3000
- Inchikey
- KBJGLIJMWJNSKP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H15NO3/c18-16(17-9-8-12-4-2-1-3-5-12)13-6-7-14-15(10-13)20-11-19-14/h1-7,10H,8-9,11H2,(H,17,18)
- Isomeric Smiles
- C1OC2=C(O1)C=C(C=C2)C(=O)NCCC3=CC=CC=C3
- Cas Id
- Ob Score
- Mol Logp
- 2.3878
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.9270
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Nantoamide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Nantoamide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Nantoamide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Nantoamide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
南投秋海棠
Role
TCM_name
Source
TCMBank
Preferred
No
Name
NAN TOU QIU HAI TANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Nantou Begonia*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Benzo[1,3]dioxole-5-carboxylic acid phenethyl-amide
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzo[1,3]dioxole-5-carboxylic acid phenethyl-amide
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1440317
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1440317
Role
alias
Source
HERB_v2
Preferred
No
Name
Cambridge id 5866306
Role
alias
Source
HERB_v2
Preferred
No
Name
Cambridge id 5866306
Role
alias
Source
itcmdb_public
Preferred
No
Name
HMS2889P21
Role
alias
Source
HERB_v2
Preferred
No
Name
HMS2889P21
Role
alias
Source
itcmdb_public
Preferred
No
Name
MLS001219550
Role
alias
Source
HERB_v2
Preferred
No
Name
MLS001219550
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-(2-PHENYLETHYL)-2H-1,3-BENZODIOXOLE-5-CARBOXAMIDE
Role
alias
Source
HERB_v2
Preferred
No
Name
N-(2-PHENYLETHYL)-2H-1,3-BENZODIOXOLE-5-CARBOXAMIDE
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-(2-phenylethyl)-1,3-benzodioxole-5-carboxamide
Role
alias
Source
HERB_v2
Preferred
No
Name
N-(2-phenylethyl)-1,3-benzodioxole-5-carboxamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Oprea1_171857
Role
alias
Source
itcmdb_public
Preferred
No
Name
Oprea1_171857
Role
alias
Source
HERB_v2
Preferred
No
Name
Oprea1_344988
Role
alias
Source
HERB_v2
Preferred
No
Name
Oprea1_344988
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL17822164
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL17822164
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
南投秋海棠NAN TOU QIU HAI TANGNantou Begonia*Benzo[1,3]dioxole-5-carboxylic acid phenethyl-amideCHEMBL1440317Cambridge id 5866306HMS2889P21MLS001219550N-(2-PHENYLETHYL)-2H-1,3-BENZODIOXOLE-5-CARBOXAMIDEN-(2-phenylethyl)-1,3-benzodioxole-5-carboxamideOprea1_171857Oprea1_344988SCHEMBL17822164
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN036302
Npass
NPC254610
Tcmid
15241
Pub Chem
669595
Tcmbank
TCMBANKIN043722
Etcm Ingredient
Nantoamide
Itcmdb Generated
ITX-INGREDIENT-D8EE94246939
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H15NO3/c18-16(17-9-8-12-4-2-1-3-5-12)13-6-7-14-15(10-13)20-11-19-14/h1-7,10H,8-9,11H2,(H,17,18)
Mol Wt
269.3
Mol Log P
2.3878
In Ch Ikey
KBJGLIJMWJNSKP-UHFFFAOYSA-N
Tcm Name
南投秋海棠
Tcm Name2
NAN TOU QIU HAI TANG
Mol2 Path
/TCM_database/2007_3d_all/15249.mol2
Reference
4267
Num Hdonors
1
Tcm Name En
Nantou Begonia*
Drug Likeness
0.927
Num Hacceptors
3
Isomeric Smiles
C1OC2=C(O1)C=C(C=C2)C(=O)NCCC3=CC=CC=C3
Canonical Smiles
C1OC2=C(O1)C=C(C=C2)C(=O)NCCC3=CC=CC=C3
Herb Alias Names
N-(2-phenylethyl)-1,3-benzodioxole-5-carboxamideN-(2-PHENYLETHYL)-2H-1,3-BENZODIOXOLE-5-CARBOXAMIDECambridge id 5866306Oprea1_171857Oprea1_344988MLS001219550Benzo[1,3]dioxole-5-carboxylic acid phenethyl-amideCHEMBL1440317SCHEMBL17822164HMS2889P21
Molecular Weight
269.110
Molecular Weight
269.29 g/mol
Molecular Formula
C16H15NO3
Molecular Formula
C16H15NO3
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.103
Quantitative Estimate Of Drug Likeness（Qed）
0.927