Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6272
- Core Entity Id
- 10153
- Source Entity Count
- 1
- Preferred Name
- 4-o-ethylpaeoniflorin
- Name En
- Pubchem Id
- 177826334
- Smiles Canonical
- CCOC12CC3(C4(CC1C4(C(O3)O2)COC(=O)C5=CC=CC=C5)OC6C(C(C(C(O6)CO)O)O)O)C
- Molecular Formula
- C25H32O11
- Molecular Weight
- 508.1900
- Inchikey
- DKVJOBFVLRVVCQ-YBBFZNMFSA-N
- Inchi
- InChI=1S/C25H32O11/c1-3-32-24-11-22(2)25(34-20-18(29)17(28)16(27)14(10-26)33-20)9-15(24)23(25,21(35-22)36-24)12-31-19(30)13-7-5-4-6-8-13/h4-8,14-18,20-21,26-29H,3,9-12H2,1-2H3/t14-,15-,16-,17+,18-,20+,21-,22+,23+,24-,25+/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -0.1000
- Num H Donors
- 4
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 9
- Drug Likeness
- Polar Surface Area
- 153.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-O-ethylpaeoniflorin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
4-O-ethylpaeoniflorin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4-o-ethylpaeoniflorin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4-o-ethylpaeoniflorin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010765
Tcmid
34547
Tcmbank
TCMBANKIN021435
Etcm Ingredient
4-O-ethylpaeoniflorin
Itcmdb Generated
ITX-INGREDIENT-4D5A3768222B
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
508.190
Molecular Formula
C25H32O11
Fda Maximum Daily Dose (Fdamdd)
0.280
Quantitative Estimate Of Drug Likeness（Qed）
0.342