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
- 14214
- Core Entity Id
- 18967
- Source Entity Count
- 1
- Preferred Name
- Chinese bittersweet alkaloid i
- Name En
- Pubchem Id
- 15484334
- Smiles Canonical
- COC(=O)C1CCOC(N1)C2=CC=CN2
- Molecular Formula
- C10H14N2O3
- Molecular Weight
- 210.2330
- Inchikey
- WYJTXYYWNRUUBH-DTWKUNHWSA-N
- Inchi
- InChI=1S/C10H14N2O3/c1-14-10(13)8-4-6-15-9(12-8)7-3-2-5-11-7/h2-3,5,8-9,11-12H,4,6H2,1H3/t8-,9+/m0/s1
- Isomeric Smiles
- COC(=O)[C@@H]1CCO[C@@H](N1)C2=CC=CN2
- Cas Id
- Ob Score
- Mol Logp
- 0.5648
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7000
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Chinese bittersweet alkaloid I
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Chinese bittersweet alkaloid I
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Chinese bittersweet alkaloid i
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Chinese bittersweet alkaloid i
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
吊干麻
Role
TCM_name
Source
TCMBank
Preferred
No
Name
DIAO GAN MA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Angled Bittersweet
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
吊干麻DIAO GAN MAAngled Bittersweet
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN020328
Npass
NPC222317
Tcmid
3536
Pub Chem
15484334
Tcmbank
TCMBANKIN037959
Etcm Ingredient
Chinese bittersweet alkaloid I
Itcmdb Generated
ITX-INGREDIENT-8E6F7DAFCBBC
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C10H14N2O3/c1-14-10(13)8-4-6-15-9(12-8)7-3-2-5-11-7/h2-3,5,8-9,11-12H,4,6H2,1H3/t8-,9+/m0/s1
Mol Wt
210.2330000000001
Mol Log P
0.5647999999999994
In Ch Ikey
WYJTXYYWNRUUBH-DTWKUNHWSA-N
Tcm Name
吊干麻
Tcm Name2
DIAO GAN MA
Mol2 Path
/TCM_database/2007_3d_all/03536.mol2
Reference
2425
Num Hdonors
2
Tcm Name En
Angled Bittersweet
Drug Likeness
0.7
Num Hacceptors
4
Isomeric Smiles
COC(=O)[C@@H]1CCO[C@@H](N1)C2=CC=CN2
Canonical Smiles
COC(=O)C1CCOC(N1)C2=CC=CN2
Molecular Weight
210.100
Molecular Formula
C10H14N2O3
Molecular Formula
C10H14N2O3
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.817
Quantitative Estimate Of Drug Likeness（Qed）
0.700