Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 5Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 20760
- Core Entity Id
- 26257
- Source Entity Count
- 1
- Preferred Name
- (?)-guaia-1(10),11-dien-15-carboxylicacid
- Name En
- Pubchem Id
- 101615178
- Smiles Canonical
- CC1CCC2=C(CCC(CC12)C(=C)C)C(=O)O
- Molecular Formula
- C15H22O2
- Molecular Weight
- 234.3390
- Inchikey
- JNYAUBXATZXFIU-WDMOLILDSA-N
- Inchi
- InChI=1S/C15H22O2/c1-9(2)11-5-7-13(15(16)17)12-6-4-10(3)14(12)8-11/h10-11,14H,1,4-8H2,2-3H3,(H,16,17)/t10-,11+,14-/m0/s1
- Isomeric Smiles
- C[C@H]1CCC2=C(CC[C@H](C[C@@H]12)C(=C)C)C(=O)O
- Cas Id
- Ob Score
- Mol Logp
- 3.7899
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7380
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(-)-Guaia-1(10),11-dien-15-carboxylic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(?)-guaia-1(10),11-dien-15-carboxylicacid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(?)-guaia-1(10),11-dien-15-carboxylicacid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(−)-Guaia-1(10),11-Dien-15-Carboxylicacid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(−)-Guaia-1(10),11-dien-15-carboxylic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
沉香
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CHEN XIANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Eaglewood
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-Guaia-1(10),11-dien-15-carboxylic acid(−)-Guaia-1(10),11-Dien-15-Carboxylicacid(−)-Guaia-1(10),11-dien-15-carboxylic acid沉香CHEN XIANGEaglewood
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN028451
Tcmid
256259029
Sym Map
SMIT15686SMIT18917
Pub Chem
101615178
Tcmbank
TCMBANKIN003633
Etcm Ingredient
(-)-Guaia-1(10),11-dien-15-carboxylic acid
Itcmdb Generated
ITX-INGREDIENT-1EAEA1EF64BEITX-INGREDIENT-EFC211640FBA
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H22O2/c1-9(2)11-5-7-13(15(16)17)12-6-4-10(3)14(12)8-11/h10-11,14H,1,4-8H2,2-3H3,(H,16,17)/t10-,11+,14-/m0/s1
Mol Wt
234.339
Mol Log P
3.789900000000002
Version
v1
In Ch Ikey
JNYAUBXATZXFIU-WDMOLILDSA-N
Suppress
0
Tcm Name
沉香
Tcm Name2
CHEN XIANG
Mol2 Path
/TCM_database/2007_3d_all/09030.mol2
Reference
13
Num Hdonors
1
Tcm Name En
Eaglewood
Drug Likeness
0.738
Num Hacceptors
1
Isomeric Smiles
C[C@H]1CCC2=C(CC[C@H](C[C@@H]12)C(=C)C)C(=O)O
Canonical Smiles
CC1CCC2=C(CCC(CC12)C(=C)C)C(=O)O
Molecular Weight
234.160
Molecule Formula
C15H22O2
Molecular Formula
C15H22O2
Molecular Formula
C15H22O2
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.676
Quantitative Estimate Of Drug Likeness（Qed）
0.738