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
- 48779
- Core Entity Id
- 91790
- Source Entity Count
- 1
- Preferred Name
- dihydroacanthospermal
- Name En
- Pubchem Id
- Smiles Canonical
- C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(/CO)[C@H](OC(=O)C(C)(C)O)[C@H](OC(=O)C(C)C)[C@@H]12
- Molecular Formula
- C23H32O8
- Molecular Weight
- 0.0000
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.9935
- Num H Donors
- 2
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 119.3600
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dihydroacanthospermal
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
dihydroacanthospermal
Role
preferred
Source
TCMBank
Preferred
Yes
Name
光刺苞菊
Role
TCM_name
Source
TCMBank
Preferred
No
Name
GUANG CI BAO JU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
GIabrous Acanthospermum*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
光刺苞菊GUANG CI BAO JUGIabrous Acanthospermum*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN023799
Tcm Id
22408
Tcmbank
TCMBANKIN029519TCMBANKIN059957
Etcm Ingredient
Dihydroacanthospermal
Itcmdb Generated
ITX-INGREDIENT-24CECF1016D6ITX-INGREDIENT-65F8505A9075
Attributes
Merged source attributes and domain-specific metadata.
Smiles
C1([H])([H])\C(=C(\C([H])([H])O[H])/[C@]([H])(OC(C(C([H])([H])[H])(O[H])C([H])([H])[H])=O)[C@]([H])(OC(=O)C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]([H])(C(=C([H])[H])C(=O)O2)[C@@]2([H])\C([H])=C(/C([
H])([H])[H])\C1([H])[H])[H]CC1=CC2C(C(C(C(=CCC1)CO)OC(=O)C(C)(C)O)OC(=O)C(C)C)C(=C)C(=O)O2
Tcm Name
光刺苞菊
Tcm Name2
GUANG CI BAO JU
Mol2 Path
/TCM_database/2003_3d_all/2303.mol2
Reference
661
Tcm Name En
GIabrous Acanthospermum*
Molecular Weight
436.210
Molecular Weight
0
Molecular Formula
C23H32O8
Molecular Formula
C23H32O8
Fda Maximum Daily Dose (Fdamdd)
0.118
Quantitative Estimate Of Drug Likeness（Qed）
0.291