Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14359
- Core Entity Id
- 19127
- Source Entity Count
- 1
- Preferred Name
- Chrysoeriol 4'-o-(6''-o-acetyl)-beta-d-glucopyrano-side
- Name En
- Pubchem Id
- 102371159
- Smiles Canonical
- CC(=O)OCC1C(C(C(C(O1)OC2=C(C=C(C=C2)C3=CC(=O)C4=C(C=C(C=C4O3)O)O)OC)O)O)O
- Molecular Formula
- C24H24O12
- Molecular Weight
- 504.4440
- Inchikey
- HMKANFUAEGLJJW-PFKOEMKTSA-N
- Inchi
- InChI=1S/C24H24O12/c1-10(25)33-9-19-21(29)22(30)23(31)24(36-19)35-15-4-3-11(5-17(15)32-2)16-8-14(28)20-13(27)6-12(26)7-18(20)34-16/h3-8,19,21-24,26-27,29-31H,9H2,1-2H3/t19-,21-,22+,23-,24-/m1/s1
- Isomeric Smiles
- CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(C=C(C=C2)C3=CC(=O)C4=C(C=C(C=C4O3)O)O)OC)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 0.6293
- Num H Donors
- 5
- Num H Acceptors
- 12
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.2950
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Chrysoeriol 4'-O-(6''-O-acetyl)--beta-D-glucopyranoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Chrysoeriol 4'-o-(6''-o-acetyl)-beta-d-glucopyrano-side
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Chrysoeriol 4'-o-(6''-o-acetyl)-beta-d-glucopyrano-side
Role
preferred
Source
itcmdb_public
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
Chrysoeriol 4'-O-(6''-O-acetyl)--beta-D-glucopyranoside
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN020458
Npass
NPC186444
Tcmid
3603
Sym Map
SMIT14658
Pub Chem
102371159
Etcm Ingredient
Chrysoeriol 4'-O-(6''-O-acetyl)--beta-D-glucopyranoside
Itcmdb Generated
ITX-INGREDIENT-DB46A06CA9E0
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C24H24O12/c1-10(25)33-9-19-21(29)22(30)23(31)24(36-19)35-15-4-3-11(5-17(15)32-2)16-8-14(28)20-13(27)6-12(26)7-18(20)34-16/h3-8,19,21-24,26-27,29-31H,9H2,1-2H3/t19-,21-,22+,23-,24-/m1/s1
Mol Wt
504.4440000000002
Mol Log P
0.6292999999999991
In Ch Ikey
HMKANFUAEGLJJW-PFKOEMKTSA-N
Num Hdonors
5
Drug Likeness
0.295
Num Hacceptors
12
Isomeric Smiles
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(C=C(C=C2)C3=CC(=O)C4=C(C=C(C=C4O3)O)O)OC)O)O)O
Canonical Smiles
CC(=O)OCC1C(C(C(C(O1)OC2=C(C=C(C=C2)C3=CC(=O)C4=C(C=C(C=C4O3)O)O)OC)O)O)O
Molecular Weight
504.130
Molecular Formula
C24H24O12
Molecular Formula
C24H24O12
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.032
Quantitative Estimate Of Drug Likeness（Qed）
0.295