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
- 22187
- Core Entity Id
- 27844
- Source Entity Count
- 1
- Preferred Name
- Integriamide
- Name En
- Pubchem Id
- 155897
- Smiles Canonical
- CN(C=O)C1=C(C=CC2=CC3=C(C=C21)OCO3)C4=CC5=C(C=C4O)OCO5
- Molecular Formula
- C20H15NO6
- Molecular Weight
- 365.3410
- Inchikey
- TVGSPKUWBOWRHI-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H15NO6/c1-21(8-22)20-12(14-6-18-19(7-15(14)23)27-10-26-18)3-2-11-4-16-17(5-13(11)20)25-9-24-16/h2-8,23H,9-10H2,1H3
- Isomeric Smiles
- CN(C=O)C1=C(C=CC2=CC3=C(C=C21)OCO3)C4=CC5=C(C=C4O)OCO5
- Cas Id
- Ob Score
- Mol Logp
- 3.2624
- Num H Donors
- 1
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7180
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Integriamide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Integriamide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Integriamide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
入地金牛(两面针)
Role
TCM_name
Source
TCMBank
Preferred
No
Name
RU DI JIN NIU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Shinyleaf Pricklyash
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
72459-16-6
Role
alias
Source
HERB_v2
Preferred
No
Name
72459-16-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID40145247
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXCID40145247
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID10222756
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID10222756
Role
alias
Source
HERB_v2
Preferred
No
Name
Formamide, N-(6-(6-hydroxy-1,3-benzodioxol-5-yl)naphtho(2,3-d)-1,3-dioxol-5-yl)-N-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Formamide, N-(6-(6-hydroxy-1,3-benzodioxol-5-yl)naphtho(2,3-d)-1,3-dioxol-5-yl)-N-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
N-(6-(6-hydroxy-1,3-benzodioxol-5-yl)benzo(f)(1,3)benzodioxol-5-yl)-N-methylformamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-[6-(6-hydroxy-1,3-benzodioxol-5-yl)benzo[f][1,3]benzodioxol-5-yl]-N-methylformamide
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
入地金牛(两面针)RU DI JIN NIUShinyleaf Pricklyash72459-16-6DTXCID40145247DTXSID10222756Formamide, N-(6-(6-hydroxy-1,3-benzodioxol-5-yl)naphtho(2,3-d)-1,3-dioxol-5-yl)-N-methyl-N-(6-(6-hydroxy-1,3-benzodioxol-5-yl)benzo(f)(1,3)benzodioxol-5-yl)-N-methylformamideN-[6-(6-hydroxy-1,3-benzodioxol-5-yl)benzo[f][1,3]benzodioxol-5-yl]-N-methylformamide
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN030209
Tcmid
11090
Pub Chem
155897
Tcmbank
TCMBANKIN049869
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H15NO6/c1-21(8-22)20-12(14-6-18-19(7-15(14)23)27-10-26-18)3-2-11-4-16-17(5-13(11)20)25-9-24-16/h2-8,23H,9-10H2,1H3
Mol Wt
365.3410000000001
Mol Log P
3.262400000000002
In Ch Ikey
TVGSPKUWBOWRHI-UHFFFAOYSA-N
Tcm Name
入地金牛(两面针)
Tcm Name2
RU DI JIN NIU
Mol2 Path
/TCM_database/2007_3d_all/11093.mol2
Reference
660
Num Hdonors
1
Tcm Name En
Shinyleaf Pricklyash
Drug Likeness
0.718
Num Hacceptors
6
Isomeric Smiles
CN(C=O)C1=C(C=CC2=CC3=C(C=C21)OCO3)C4=CC5=C(C=C4O)OCO5
Canonical Smiles
CN(C=O)C1=C(C=CC2=CC3=C(C=C21)OCO3)C4=CC5=C(C=C4O)OCO5
Herb Alias Names
72459-16-6Formamide, N-(6-(6-hydroxy-1,3-benzodioxol-5-yl)naphtho(2,3-d)-1,3-dioxol-5-yl)-N-methyl-DTXSID10222756N-[6-(6-hydroxy-1,3-benzodioxol-5-yl)benzo[f][1,3]benzodioxol-5-yl]-N-methylformamideN-(6-(6-hydroxy-1,3-benzodioxol-5-yl)benzo(f)(1,3)benzodioxol-5-yl)-N-methylformamideDTXCID40145247
Molecular Weight
365.3 g/mol
Molecular Formula
C20H15NO6
Num Rotatable Bonds
3