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
- 5864
- Core Entity Id
- 9703
- Source Entity Count
- 1
- Preferred Name
- 4-bromobenzyl-labda-7,12(e),14-triene-17-oate
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C27H35BrO2
- Molecular Weight
- 470.1800
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- Num H Donors
- Num H Acceptors
- Num Rotatable Bonds
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-Bromobenzyl-labda-7,12(E),14-triene-17-oate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
4-bromobenzyl-labda-7,12(e),14-triene-17-oate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4-bromobenzyl-labda-7,12(e),14-triene-17-oate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4-bromobenzyl-labda-7,12(e),14-triene-17-oate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010275
Tcmid
2618
Tcmbank
TCMBANKIN047802
Etcm Ingredient
4-Bromobenzyl-labda-7,12(E),14-triene-17-oate
Itcmdb Generated
ITX-INGREDIENT-CF012DD64194
Attributes
Merged source attributes and domain-specific metadata.
Mol2 Path
/TCM_database/2007_3d_all/02618.mol2
Reference
5363
Molecular Weight
470.180
Molecular Formula
C27H35BrO2
Molecular Formula
C27H35 BrO2
Molecular Formula
C27H35BrO2
Fda Maximum Daily Dose (Fdamdd)
0.948
Quantitative Estimate Of Drug Likeness（Qed）
0.313