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
- 29599
- Core Entity Id
- 36083
- Source Entity Count
- 1
- Preferred Name
- Phelligridin a
- Name En
- Pubchem Id
- 44559563
- Smiles Canonical
- CC1=CC2=C(C3=CC(=C(C=C3C(=O)O2)O)O)C(=O)O1
- Molecular Formula
- C13H8O6
- Molecular Weight
- 260.2010
- Inchikey
- AQXTXYPAJZSNIZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C13H8O6/c1-5-2-10-11(13(17)18-5)6-3-8(14)9(15)4-7(6)12(16)19-10/h2-4,14-15H,1H3
- Isomeric Smiles
- CC1=CC2=C(C3=CC(=C(C=C3C(=O)O2)O)O)C(=O)O1
- Cas Id
- Ob Score
- Mol Logp
- 1.6190
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4700
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Phelligridin A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Phelligridin A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Phelligridin a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Phelligridin a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
桑黄
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SANG HUANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Phellinus igniarius
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
AQXTXYPAJZSNIZ-UHFFFAOYSA-
Role
alias
Source
HERB_v2
Preferred
No
Name
AQXTXYPAJZSNIZ-UHFFFAOYSA-
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL446850
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL446850
Role
alias
Source
HERB_v2
Preferred
No
Name
InChI=1/C13H8O6/c1-5-2-10-11(13(17)18-5)6-3-8(14)9(15)4-7(6)12(16)19-10/h2-4,14-15H,1H3
Role
alias
Source
itcmdb_public
Preferred
No
Name
InChI=1/C13H8O6/c1-5-2-10-11(13(17)18-5)6-3-8(14)9(15)4-7(6)12(16)19-10/h2-4,14-15H,1H3
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
桑黄SANG HUANGPhellinus igniariusAQXTXYPAJZSNIZ-UHFFFAOYSA-CHEMBL446850InChI=1/C13H8O6/c1-5-2-10-11(13(17)18-5)6-3-8(14)9(15)4-7(6)12(16)19-10/h2-4,14-15H,1H3
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN039432
Npass
NPC156307
Tcmid
17045
Pub Chem
44559563
Tcmbank
TCMBANKIN046153
Etcm Ingredient
Phelligridin A
Itcmdb Generated
ITX-INGREDIENT-5D848AE082B1
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C13H8O6/c1-5-2-10-11(13(17)18-5)6-3-8(14)9(15)4-7(6)12(16)19-10/h2-4,14-15H,1H3
Mol Wt
260.201
Mol Log P
1.61902
In Ch Ikey
AQXTXYPAJZSNIZ-UHFFFAOYSA-N
Tcm Name
桑黄
Tcm Name2
SANG HUANG
Mol2 Path
/TCM_database/2007_3d_all/17059.mol2
Reference
4747
Num Hdonors
2
Tcm Name En
Phellinus igniarius
Drug Likeness
0.47
Num Hacceptors
6
Isomeric Smiles
CC1=CC2=C(C3=CC(=C(C=C3C(=O)O2)O)O)C(=O)O1
Canonical Smiles
CC1=CC2=C(C3=CC(=C(C=C3C(=O)O2)O)O)C(=O)O1
Herb Alias Names
CHEMBL446850AQXTXYPAJZSNIZ-UHFFFAOYSA-InChI=1/C13H8O6/c1-5-2-10-11(13(17)18-5)6-3-8(14)9(15)4-7(6)12(16)19-10/h2-4,14-15H,1H3
Molecular Weight
260.030
Molecular Weight
260.2 g/mol
Molecular Formula
C13H8O6
Molecular Formula
C13H8O6
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.908
Quantitative Estimate Of Drug Likeness（Qed）
0.470