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
- 21118
- Core Entity Id
- 26659
- Source Entity Count
- 1
- Preferred Name
- Hedychiol a
- Name En
- Pubchem Id
- 10105633
- Smiles Canonical
- CC(=CCC(C(=CCCC(C)(C=C)O)C)O)C
- Molecular Formula
- C15H26O2
- Molecular Weight
- 238.3710
- Inchikey
- QNAJDMGVFWNPDH-WAYTWBJWSA-N
- Inchi
- InChI=1S/C15H26O2/c1-6-15(5,17)11-7-8-13(4)14(16)10-9-12(2)3/h6,8-9,14,16-17H,1,7,10-11H2,2-5H3/b13-8+/t14-,15+/m0/s1
- Isomeric Smiles
- CC(=CC[C@@H](/C(=C/CC[C@@](C)(C=C)O)/C)O)C
- Cas Id
- Ob Score
- Mol Logp
- 3.3671
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.6680
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Hedychiol A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Hedychiol A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Hedychiol a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Hedychiol a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
土羌活
Role
TCM_name
Source
TCMBank
Preferred
No
Name
TU QIANG HUO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Coronarious Gingerlily
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
土羌活TU QIANG HUOCoronarious Gingerlily
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN028911
Npass
NPC292952
Tcmid
9280
Pub Chem
10105633
Tcmbank
TCMBANKIN049894
Etcm Ingredient
Hedychiol A
Itcmdb Generated
ITX-INGREDIENT-49A5DB1878A6
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H26O2/c1-6-15(5,17)11-7-8-13(4)14(16)10-9-12(2)3/h6,8-9,14,16-17H,1,7,10-11H2,2-5H3/b13-8+/t14-,15+/m0/s1
Mol Wt
238.371
Mol Log P
3.367100000000002
In Ch Ikey
QNAJDMGVFWNPDH-WAYTWBJWSA-N
Tcm Name
土羌活
Tcm Name2
TU QIANG HUO
Mol2 Path
/TCM_database/2007_3d_all/09281.mol2
Reference
4221
Num Hdonors
2
Tcm Name En
Coronarious Gingerlily
Drug Likeness
0.668
Num Hacceptors
2
Isomeric Smiles
CC(=CC[C@@H](/C(=C/CC[C@@](C)(C=C)O)/C)O)C
Canonical Smiles
CC(=CCC(C(=CCCC(C)(C=C)O)C)O)C
Molecular Weight
238.190
Molecular Weight
238.37 g/mol
Molecular Formula
C15H26O2
Molecular Formula
C15H26O2
Num Rotatable Bonds
7
Fda Maximum Daily Dose (Fdamdd)
0.978
Quantitative Estimate Of Drug Likeness（Qed）
0.668