Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 68534
- Core Entity Id
- 131183
- Source Entity Count
- 1
- Preferred Name
- 4-epi-albiflorin
- Name En
- Pubchem Id
- 162968328
- Smiles Canonical
- CC12CC(C3CC1(C3(C(=O)O2)COC(=O)C4=CC=CC=C4)OC5C(C(C(C(O5)CO)O)O)O)O
- Molecular Formula
- C23H28O11
- Molecular Weight
- 480.1600
- Inchikey
- QQUHMASGPODSIW-LXFPHCPFSA-N
- Inchi
- InChI=1S/C23H28O11/c1-21-8-13(25)12-7-23(21,33-19-17(28)16(27)15(26)14(9-24)32-19)22(12,20(30)34-21)10-31-18(29)11-5-3-2-4-6-11/h2-6,12-17,19,24-28H,7-10H2,1H3/t12-,13-,14+,15+,16-,17+,19-,21-,22-,23-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -1.0000
- Num H Donors
- 5
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 7
- Drug Likeness
- Polar Surface Area
- 172.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-epi-albiflorin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
4-epi-albiflorin
Itcmdb Generated
ITX-INGREDIENT-C7005E489C0D
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
480.160
Molecular Formula
C23H28O11
Fda Maximum Daily Dose (Fdamdd)
0.013
Quantitative Estimate Of Drug Likeness（Qed）
0.300