Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 22390
- Core Entity Id
- 28072
- Source Entity Count
- 1
- Preferred Name
- Isoaspidin ab
- Name En
- Pubchem Id
- 21578015
- Smiles Canonical
- CC1=CC2C(C(CC(=CC(C1)O)C)OC(=O)C(C)(C(C)O)O)C(=C)C(=O)O2
- Molecular Formula
- C20H28O7
- Molecular Weight
- 380.4370
- Inchikey
- ZHUKVZKTDPGGMP-HXGWUIDUSA-N
- Inchi
- InChI=1S/C20H28O7/c1-10-6-14(22)7-11(2)9-16(27-19(24)20(5,25)13(4)21)17-12(3)18(23)26-15(17)8-10/h7-8,13-17,21-22,25H,3,6,9H2,1-2,4-5H3/b10-8+,11-7+/t13?,14-,15+,16+,17-,20?/m0/s1
- Isomeric Smiles
- C/C/1=C\[C@@H]2[C@@H]([C@@H](C/C(=C/[C@H](C1)O)/C)OC(=O)C(C)(C(C)O)O)C(=C)C(=O)O2
- Cas Id
- Ob Score
- Mol Logp
- 1.1751
- Num H Donors
- 3
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.3830
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Isoaspidin AB
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Isoaspidin ab
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Isoaspidin ab
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
长尾复叶耳蕨
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CHANG WEI FU YE ER JUE
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Simple Arachniodes
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
长尾复叶耳蕨CHANG WEI FU YE ER JUESimple Arachniodes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN030455
Tcmid
11236
Pub Chem
21578015
Tcmbank
TCMBANKIN038392
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H28O7/c1-10-6-14(22)7-11(2)9-16(27-19(24)20(5,25)13(4)21)17-12(3)18(23)26-15(17)8-10/h7-8,13-17,21-22,25H,3,6,9H2,1-2,4-5H3/b10-8+,11-7+/t13?,14-,15+,16+,17-,20?/m0/s1
Mol Wt
380.4370000000001
Mol Log P
1.1751
In Ch Ikey
ZHUKVZKTDPGGMP-HXGWUIDUSA-N
Tcm Name
长尾复叶耳蕨
Tcm Name2
CHANG WEI FU YE ER JUE
Mol2 Path
/TCM_database/2007_3d_all/11239.mol2
Reference
660, 1521
Num Hdonors
3
Tcm Name En
Simple Arachniodes
Drug Likeness
0.383
Num Hacceptors
7
Isomeric Smiles
C/C/1=C\[C@@H]2[C@@H]([C@@H](C/C(=C/[C@H](C1)O)/C)OC(=O)C(C)(C(C)O)O)C(=C)C(=O)O2
Canonical Smiles
CC1=CC2C(C(CC(=CC(C1)O)C)OC(=O)C(C)(C(C)O)O)C(=C)C(=O)O2
Molecular Formula
C20H28O7
Num Rotatable Bonds
3