Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Ingredient: 1Target: 4Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 73458
- Core Entity Id
- 136107
- Source Entity Count
- 1
- Preferred Name
- malabaricone A
- Name En
- Pubchem Id
- 324062
- Smiles Canonical
- C1=CC=C(C=C1)CCCCCCCCC(=O)C2=C(C=CC=C2O)O
- Molecular Formula
- C21H26O3
- Molecular Weight
- 326.1900
- Inchikey
- IAXIHKJASWPASP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C21H26O3/c22-18(21-19(23)15-10-16-20(21)24)14-9-4-2-1-3-6-11-17-12-7-5-8-13-17/h5,7-8,10,12-13,15-16,23-24H,1-4,6,9,11,14H2
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 6.4000
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 10
- Drug Likeness
- Polar Surface Area
- 57.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
malabaricone A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
malabaricone A
Itcmdb Generated
ITX-INGREDIENT-9E91F14F66EB
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
326.190
Molecular Formula
C21H26O3
Fda Maximum Daily Dose (Fdamdd)
0.063
Quantitative Estimate Of Drug Likeness（Qed）
0.463