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
- 32742
- Core Entity Id
- 39586
- Source Entity Count
- 1
- Preferred Name
- Scarlet808
- Name En
- Pubchem Id
- 135409550
- Smiles Canonical
- C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC=CC=C4
- Molecular Formula
- C23H17N3O2
- Molecular Weight
- 367.4080
- Inchikey
- WYUHTVDGHDRPDW-UHFFFAOYSA-N
- Inchi
- InChI=1S/C23H17N3O2/c27-22-20(23(28)24-17-10-3-1-4-11-17)15-16-9-7-8-14-19(16)21(22)26-25-18-12-5-2-6-13-18/h1-15,27H,(H,24,28)
- Isomeric Smiles
- C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC=CC=C4
- Cas Id
- Ob Score
- Mol Logp
- 6.2131
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.4210
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Scarlet808
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Scarlet808
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Scarlet808
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
米麦鹅掌柴
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MI MAI E ZHANG CHAI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Densevein Schefflera
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
3-HYDROXY-4-PHENYLAZO-NAPHTHALENE-2-CARBOXYLIC ACID PHENYLAMIDE
Role
alias
Source
HERB_v2
Preferred
No
Name
3-HYDROXY-4-PHENYLAZO-NAPHTHALENE-2-CARBOXYLIC ACID PHENYLAMIDE
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-hydroxy-N-phenyl-4-phenyldiazenylnaphthalene-2-carboxamide
Role
alias
Source
HERB_v2
Preferred
No
Name
3-hydroxy-N-phenyl-4-phenyldiazenylnaphthalene-2-carboxamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-oxo-N-phenyl-4-(phenylhydrazinylidene)naphthalene-2-carboxamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-oxo-N-phenyl-4-(phenylhydrazinylidene)naphthalene-2-carboxamide
Role
alias
Source
HERB_v2
Preferred
No
Name
3789-75-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
3789-75-1
Role
alias
Source
HERB_v2
Preferred
No
Name
Bronze Red
Role
alias
Source
HERB_v2
Preferred
No
Name
Bronze Red
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID30652379
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID30652379
Role
alias
Source
HERB_v2
Preferred
No
Name
SCARLET 808
Role
alias
Source
HERB_v2
Preferred
No
Name
SCARLET 808
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL2630605
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL2630605
Role
alias
Source
itcmdb_public
Preferred
No
Name
WYUHTVDGHDRPDW-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
WYUHTVDGHDRPDW-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
米麦鹅掌柴MI MAI E ZHANG CHAIDensevein Schefflera3-HYDROXY-4-PHENYLAZO-NAPHTHALENE-2-CARBOXYLIC ACID PHENYLAMIDE3-hydroxy-N-phenyl-4-phenyldiazenylnaphthalene-2-carboxamide3-oxo-N-phenyl-4-(phenylhydrazinylidene)naphthalene-2-carboxamide3789-75-1Bronze RedDTXSID30652379SCARLET 808SCHEMBL2630605WYUHTVDGHDRPDW-UHFFFAOYSA-N
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN043308
Tcmid
19443
Pub Chem
135409550
Tcmbank
TCMBANKIN040855
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C23H17N3O2/c27-22-20(23(28)24-17-10-3-1-4-11-17)15-16-9-7-8-14-19(16)21(22)26-25-18-12-5-2-6-13-18/h1-15,27H,(H,24,28)
Mol Wt
367.408
Mol Log P
6.213100000000003
In Ch Ikey
WYUHTVDGHDRPDW-UHFFFAOYSA-N
Tcm Name
米麦鹅掌柴
Tcm Name2
MI MAI E ZHANG CHAI
Mol2 Path
/TCM_database/2007_3d_all/19458.mol2
Reference
4600
Num Hdonors
2
Tcm Name En
Densevein Schefflera
Drug Likeness
0.421
Num Hacceptors
4
Isomeric Smiles
C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC=CC=C4
Canonical Smiles
C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC=CC=C4
Herb Alias Names
Bronze Red3789-75-1SCARLET 8083-HYDROXY-4-PHENYLAZO-NAPHTHALENE-2-CARBOXYLIC ACID PHENYLAMIDE3-hydroxy-N-phenyl-4-phenyldiazenylnaphthalene-2-carboxamideSCHEMBL2630605DTXSID30652379WYUHTVDGHDRPDW-UHFFFAOYSA-N3-oxo-N-phenyl-4-(phenylhydrazinylidene)naphthalene-2-carboxamide
Molecular Weight
367.4 g/mol
Molecular Formula
C23H17N3O2
Num Rotatable Bonds
4