Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 3Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2935
- Core Entity Id
- 6450
- Source Entity Count
- 1
- Preferred Name
- 3-0-trans-p-coumarylrotundic acid
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C39H54O7
- Molecular Weight
- 634.9300
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- 22.1330
- 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
3-0-Trans-P-Coumarylrotundic Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
3-0-Trans-P-Coumarylrotundic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3-0-trans-p-coumarylrotundic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3-0-trans-p-coumarylrotundic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3-0-trans-p-coumarylrotundic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-0-trans-p-coumarylrotundic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN006889
Tcmsp
MOL012566
Sym Map
SMIT13310
Tcmbank
TCMBANKIN021835
Etcm Ingredient
3-0-trans-p-coumarylrotundic acid
Itcmdb Generated
ITX-INGREDIENT-08E28602F038
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Ob Score
22.13322.13349522.13349516
Suppress
0
Molecule Weight
634.93
Molecular Weight
634.390
Molecular Weight
634.93
Molecular Formula
C39H54O7
Fda Maximum Daily Dose (Fdamdd)
0.973
Quantitative Estimate Of Drug Likeness（Qed）
0.154