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
- 32235
- Core Entity Id
- 39020
- Source Entity Count
- 1
- Preferred Name
- (s)-12-hydroxygeranylgeranicacid
- Name En
- Pubchem Id
- 12018261
- Smiles Canonical
- CC(=CCC(C(=CCCC(=CCCC(=CC(=O)O)C)C)C)O)C
- Molecular Formula
- C20H32O3
- Molecular Weight
- 320.4730
- Inchikey
- WUTNFDVILUENNQ-HBSSDYDPSA-N
- Inchi
- InChI=1S/C20H32O3/c1-15(2)12-13-19(21)18(5)11-7-9-16(3)8-6-10-17(4)14-20(22)23/h8,11-12,14,19,21H,6-7,9-10,13H2,1-5H3,(H,22,23)/b16-8+,17-14+,18-11+/t19-/m0/s1
- Isomeric Smiles
- CC(=CC[C@@H](/C(=C/CC/C(=C/CC/C(=C/C(=O)O)/C)/C)/C)O)C
- Cas Id
- Ob Score
- Mol Logp
- 5.1875
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 10
- Drug Likeness
- 0.4300
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(S)-12-Hydroxygeranylgeranic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(s)-12-hydroxygeranylgeranicacid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(s)-12-hydroxygeranylgeranicacid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
双叉藻
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SHUANG CHA ZAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Brown Alga Bifurcaria bifurcata
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(S)-12-Hydroxygeranylgeranic acid双叉藻SHUANG CHA ZAOBrown Alga Bifurcaria bifurcata
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN042682
Tcmid
10143
Pub Chem
12018261
Tcmbank
TCMBANKIN010040TCMBANKIN021450
Itcmdb Generated
ITX-INGREDIENT-4BC7E89214BF
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H32O3/c1-15(2)12-13-19(21)18(5)11-7-9-16(3)8-6-10-17(4)14-20(22)23/h8,11-12,14,19,21H,6-7,9-10,13H2,1-5H3,(H,22,23)/b16-8+,17-14+,18-11+/t19-/m0/s1
Mol Wt
320.473
Smiles
CC(=CCC(C(=CCCC(=CCCC(=CC(=O)O)C)C)C)O)C
Mol Log P
5.187500000000005
In Ch Ikey
WUTNFDVILUENNQ-HBSSDYDPSA-N
Tcm Name
双叉藻
Tcm Name2
SHUANG CHA ZAO
Mol2 Path
/TCM_database/2007_3d_all/10144.mol2
Reference
5146
Num Hdonors
2
Tcm Name En
Brown Alga Bifurcaria bifurcata
Drug Likeness
0.43
Num Hacceptors
2
Isomeric Smiles
CC(=CC[C@@H](/C(=C/CC/C(=C/CC/C(=C/C(=O)O)/C)/C)/C)O)C
Canonical Smiles
CC(=CCC(C(=CCCC(=CCCC(=CC(=O)O)C)C)C)O)C
Molecular Weight
320.5 g/mol
Molecular Formula
C20H32O3
Molecular Formula
C20H32O3
Num Rotatable Bonds
10