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
- 27849
- Core Entity Id
- 34139
- Source Entity Count
- 1
- Preferred Name
- Non-glycosidiciridoid
- Name En
- Pubchem Id
- 10987621
- Smiles Canonical
- C1C2C(C(C(=O)O2)CO)C(=C1CO)CO
- Molecular Formula
- C10H14O5
- Molecular Weight
- 214.2170
- Inchikey
- ZUCWSCWGSFAZJC-CIUDSAMLSA-N
- Inchi
- InChI=1S/C10H14O5/c11-2-5-1-8-9(6(5)3-12)7(4-13)10(14)15-8/h7-9,11-13H,1-4H2/t7-,8-,9-/m0/s1
- Isomeric Smiles
- C1[C@H]2[C@H]([C@@H](C(=O)O2)CO)C(=C1CO)CO
- Cas Id
- Ob Score
- Mol Logp
- -1.1786
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.4060
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Non-glycosidic iridoid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Non-glycosidiciridoid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Non-glycosidiciridoid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
non-glycosidiciridoid
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
Non-glycosidic iridoid
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN037261
Tcmid
15688
Pub Chem
10987621
Tcmbank
TCMBANKIN007880
Etcm Ingredient
Non-glycosidic iridoid
Itcmdb Generated
ITX-INGREDIENT-C7CB072E3FDE
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C10H14O5/c11-2-5-1-8-9(6(5)3-12)7(4-13)10(14)15-8/h7-9,11-13H,1-4H2/t7-,8-,9-/m0/s1
Mol Wt
214.217
Smiles
C1C2C(C(C(=O)O2)CO)C(=C1CO)CO
Mol Log P
-1.1786
In Ch Ikey
ZUCWSCWGSFAZJC-CIUDSAMLSA-N
Num Hdonors
3
Drug Likeness
0.406
Num Hacceptors
5
Isomeric Smiles
C1[C@H]2[C@H]([C@@H](C(=O)O2)CO)C(=C1CO)CO
Canonical Smiles
C1C2C(C(C(=O)O2)CO)C(=C1CO)CO
Molecular Weight
214.080
Molecular Formula
C10H14O5
Molecular Formula
C10H14O5
Molecular Formula
C10H14O5
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.017
Quantitative Estimate Of Drug Likeness（Qed）
0.406