Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Target: 4Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 20975
- Core Entity Id
- 26499
- Source Entity Count
- 1
- Preferred Name
- Haematommicacid
- Name En
- Pubchem Id
- 6710680
- Smiles Canonical
- CC1=CC(=C(C(=C1C(=O)O)O)C=O)O
- Molecular Formula
- C9H8O5
- Molecular Weight
- 196.1580
- Inchikey
- KCOOTJRKKIDHTM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H8O5/c1-4-2-6(11)5(3-10)8(12)7(4)9(13)14/h2-3,11-12H,1H3,(H,13,14)
- Isomeric Smiles
- CC1=CC(=C(C(=C1C(=O)O)O)C=O)O
- Cas Id
- Ob Score
- Mol Logp
- 0.9169
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6110
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Haematommic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Haematommicacid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Haematommicacid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
金丝刷
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JIN SI SHUA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Gold-wire Brush*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
3-formyl-2,4-dihydroxy-6-methylbenzoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-formyl-2,4-dihydroxy-6-methylbenzoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
HAEMATOMMIC ACID
Role
alias
Source
HERB_v2
Preferred
No
Name
HAEMATOMMIC ACID
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hamatommsaure
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hamatommsaure
Role
alias
Source
HERB_v2
Preferred
No
Name
KBio2_006900
Role
alias
Source
itcmdb_public
Preferred
No
Name
KBio2_006900
Role
alias
Source
HERB_v2
Preferred
No
Name
Spectrum2_001922
Role
alias
Source
itcmdb_public
Preferred
No
Name
Spectrum2_001922
Role
alias
Source
HERB_v2
Preferred
No
Name
Spectrum3_001118
Role
alias
Source
itcmdb_public
Preferred
No
Name
Spectrum3_001118
Role
alias
Source
HERB_v2
Preferred
No
Name
Spectrum4_001959
Role
alias
Source
itcmdb_public
Preferred
No
Name
Spectrum4_001959
Role
alias
Source
HERB_v2
Preferred
No
Name
Spectrum5_000699
Role
alias
Source
itcmdb_public
Preferred
No
Name
Spectrum5_000699
Role
alias
Source
HERB_v2
Preferred
No
Name
Spectrum_001284
Role
alias
Source
HERB_v2
Preferred
No
Name
Spectrum_001284
Role
alias
Source
itcmdb_public
Preferred
No
Name
haematommate
Role
alias
Source
HERB_v2
Preferred
No
Name
haematommate
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Haematommic acid金丝刷JIN SI SHUAGold-wire Brush*3-formyl-2,4-dihydroxy-6-methylbenzoic acidHamatommsaureKBio2_006900Spectrum2_001922Spectrum3_001118Spectrum4_001959Spectrum5_000699Spectrum_001284haematommate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN028735
Npass
NPC278375
Tcmid
9187
Pub Chem
6710680
Tcmbank
TCMBANKIN009709TCMBANKIN020451
Itcmdb Generated
ITX-INGREDIENT-991CD39EB948
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C9H8O5/c1-4-2-6(11)5(3-10)8(12)7(4)9(13)14/h2-3,11-12H,1H3,(H,13,14)
Mol Wt
196.158
Smiles
CC1=CC(=C(C(=C1C(=O)O)O)C=O)O
Mol Log P
0.9169200000000002
In Ch Ikey
KCOOTJRKKIDHTM-UHFFFAOYSA-N
Tcm Name
金丝刷
Tcm Name2
JIN SI SHUA
Mol2 Path
/TCM_database/2007_3d_all/09188.mol2
Reference
660
Num Hdonors
3
Tcm Name En
Gold-wire Brush*
Drug Likeness
0.611
Num Hacceptors
4
Isomeric Smiles
CC1=CC(=C(C(=C1C(=O)O)O)C=O)O
Canonical Smiles
CC1=CC(=C(C(=C1C(=O)O)O)C=O)O
Herb Alias Names
HAEMATOMMIC ACID3-formyl-2,4-dihydroxy-6-methylbenzoic acidhaematommateHamatommsaureKBio2_006900Spectrum_001284Spectrum2_001922Spectrum3_001118Spectrum4_001959Spectrum5_000699
Molecular Weight
196.16 g/mol
Molecular Formula
C9H8O5
Molecular Formula
C9H8O5
Num Rotatable Bonds
2