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
- 10003
- Core Entity Id
- 14285
- Source Entity Count
- 1
- Preferred Name
- Albaspidin ab
- Name En
- Pubchem Id
- 102317602
- Smiles Canonical
- CCCC(=O)C1=C(C(=C(C(C1=O)(C)C)O)CC2=C(C(C(=O)C(=C2O)C(=O)C)(C)C)O)O
- Molecular Formula
- C23H28O8
- Molecular Weight
- 432.4690
- Inchikey
- NXDMJEFAVIPWBQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C23H28O8/c1-7-8-13(25)15-17(27)12(19(29)23(5,6)21(15)31)9-11-16(26)14(10(2)24)20(30)22(3,4)18(11)28/h26-29H,7-9H2,1-6H3
- Isomeric Smiles
- CCCC(=O)C1=C(C(=C(C(C1=O)(C)C)O)CC2=C(C(C(=O)C(=C2O)C(=O)C)(C)C)O)O
- Cas Id
- Ob Score
- Mol Logp
- 3.8009
- Num H Donors
- 4
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.4630
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Albaspidin AB
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Albaspidin ab
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Albaspidin ab
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
毛贯众
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MAO GUAN ZHONG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Champion Wood Fern
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
毛贯众MAO GUAN ZHONGChampion Wood Fern
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN015066
Npass
NPC265650
Tcmid
849
Pub Chem
102317602
Tcmbank
TCMBANKIN037249
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C23H28O8/c1-7-8-13(25)15-17(27)12(19(29)23(5,6)21(15)31)9-11-16(26)14(10(2)24)20(30)22(3,4)18(11)28/h26-29H,7-9H2,1-6H3
Mol Wt
432.4690000000002
Mol Log P
3.800900000000002
In Ch Ikey
NXDMJEFAVIPWBQ-UHFFFAOYSA-N
Tcm Name
毛贯众
Tcm Name2
MAO GUAN ZHONG
Mol2 Path
/TCM_database/2007_3d_all/00849.mol2
Reference
660
Num Hdonors
4
Tcm Name En
Champion Wood Fern
Drug Likeness
0.463
Num Hacceptors
8
Isomeric Smiles
CCCC(=O)C1=C(C(=C(C(C1=O)(C)C)O)CC2=C(C(C(=O)C(=C2O)C(=O)C)(C)C)O)O
Canonical Smiles
CCCC(=O)C1=C(C(=C(C(C1=O)(C)C)O)CC2=C(C(C(=O)C(=C2O)C(=O)C)(C)C)O)O
Molecular Weight
432.5 g/mol
Molecular Formula
C23H28O8
Num Rotatable Bonds
6