Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 21196
- Core Entity Id
- 26745
- Source Entity Count
- 1
- Preferred Name
- Hemipholin
- Name En
- Pubchem Id
- 42607890
- Smiles Canonical
- C1C(OC2=CC(=C(C(=C2C1=O)O)C3C(C(C(C(O3)CO)O)O)O)O)C4=CC=C(C=C4)O
- Molecular Formula
- C21H22O10
- Molecular Weight
- 434.3970
- Inchikey
- QKPKGDDHOGIEOO-PXECAZGPSA-N
- Inchi
- InChI=1S/C21H22O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-4,6,12,14,17,19-23,25-29H,5,7H2/t12-,14?,17?,19?,20?,21?/m0/s1
- Isomeric Smiles
- C1[C@H](OC2=C(C1=O)C(=C(C(=C2)O)C3C(C(C(C(O3)CO)O)O)O)O)C4=CC=C(C=C4)O
- Cas Id
- Ob Score
- Mol Logp
- 0.0248
- Num H Donors
- 7
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.3480
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Hemipholin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Hemipholin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
hemipholin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(S)-6-beta-D-Glucopyranosyl-4',5,7-trihydroxyflavanone
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-6-beta-D-Glucopyranosyl-4',5,7-trihydroxyflavanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-C-Glucosylnaringenin
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-C-Glucosylnaringenin
Role
alias
Source
HERB_v2
Preferred
No
Name
Hemiphloin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hemiphloin
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12140223
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12140223
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(S)-6-beta-D-Glucopyranosyl-4',5,7-trihydroxyflavanone6-C-GlucosylnaringeninHemiphloinLMPK12140223
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN029003
Npass
NPC77145
Tcmid
36170
Pub Chem
42607890
Tcmbank
TCMBANKIN015080
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H22O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-4,6,12,14,17,19-23,25-29H,5,7H2/t12-,14?,17?,19?,20?,21?/m0/s1
Mol Wt
434.3970000000001
Smiles
C1C(OC2=CC(=C(C(=C2C1=O)O)C3C(C(C(C(O3)CO)O)O)O)O)C4=CC=C(C=C4)O
Mol Log P
0.02479999999999927
In Ch Ikey
QKPKGDDHOGIEOO-PXECAZGPSA-N
Num Hdonors
7
Drug Likeness
0.348
Num Hacceptors
10
Isomeric Smiles
C1[C@H](OC2=C(C1=O)C(=C(C(=C2)O)C3C(C(C(C(O3)CO)O)O)O)O)C4=CC=C(C=C4)O
Canonical Smiles
C1C(OC2=C(C1=O)C(=C(C(=C2)O)C3C(C(C(C(O3)CO)O)O)O)O)C4=CC=C(C=C4)O
Herb Alias Names
6-C-GlucosylnaringeninHemiphloin(S)-6-beta-D-Glucopyranosyl-4',5,7-trihydroxyflavanoneLMPK12140223
Molecular Formula
C21H22O10
Molecular Formula
C21H22O10
Num Rotatable Bonds
3