Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Reference: 1Target: 16Links: 26
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 3268
- Core Entity Id
- 6819
- Source Entity Count
- 1
- Preferred Name
- 3',4',5,7-tetrahydroxyflavanol
- Name En
- Pubchem Id
- 467484
- Smiles Canonical
- C1=C(C=C(C=C1O)O)C2=C(C(=O)C3=CC(=CC(=C3O2)O)O)O
- Molecular Formula
- C15H10O7
- Molecular Weight
- 302.2380
- Inchikey
- TWOPRMPXDUADLK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H10O7/c16-7-1-6(2-8(17)3-7)14-13(21)12(20)10-4-9(18)5-11(19)15(10)22-14/h1-5,16-19,21H
- Isomeric Smiles
- C1=C(C=C(C=C1O)O)C2=C(C(=O)C3=C(O2)C(=CC(=C3)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.9880
- Num H Donors
- 5
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.4640
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3',4',5,7-Tetrahydroxyflavanol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3',4',5,7-tetrahydroxyflavanol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3',4',5,7-tetrahydroxyflavanol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3',4',5,7-tetrahydroxyflavanol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN007271
Tcmid
32030
Pub Chem
467484
Tcmbank
TCMBANKIN000025
Etcm Ingredient
3',4',5,7-Tetrahydroxyflavanol
Itcmdb Generated
ITX-INGREDIENT-90A5B0E7AE68
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H10O7/c16-7-1-6(2-8(17)3-7)14-13(21)12(20)10-4-9(18)5-11(19)15(10)22-14/h1-5,16-19,21H
Mol Wt
302.2379999999999
Smiles
C1=C(C=C(C=C1O)O)C2=C(C(=O)C3=CC(=CC(=C3O2)O)O)O
Mol Log P
1.988000000000001
In Ch Ikey
TWOPRMPXDUADLK-UHFFFAOYSA-N
Num Hdonors
5
Drug Likeness
0.464
Num Hacceptors
7
Isomeric Smiles
C1=C(C=C(C=C1O)O)C2=C(C(=O)C3=C(O2)C(=CC(=C3)O)O)O
Canonical Smiles
C1=C(C=C(C=C1O)O)C2=C(C(=O)C3=C(O2)C(=CC(=C3)O)O)O
Molecular Weight
302.040
Molecular Formula
C15H10O7
Molecular Formula
C15H10O7
Molecular Formula
C15H10O7
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.855
Quantitative Estimate Of Drug Likeness（Qed）
0.464