Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 22910
- Core Entity Id
- 28651
- Source Entity Count
- 1
- Preferred Name
- Isorhamnetin-3-alpha-l-rhamnofuranoside
- Name En
- Pubchem Id
- 5318648
- Smiles Canonical
- CC(C1C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)OC)O)O)O
- Molecular Formula
- C22H22O11
- Molecular Weight
- 462.4070
- Inchikey
- VCUKTRIKOSSHLY-HMMBGAFDSA-N
- Inchi
- InChI=1S/C22H22O11/c1-8(23)19-17(28)18(29)22(32-19)33-21-16(27)15-12(26)6-10(24)7-14(15)31-20(21)9-3-4-11(25)13(5-9)30-2/h3-8,17-19,22-26,28-29H,1-2H3/t8?,17-,18+,19-,22-/m0/s1
- Isomeric Smiles
- CC([C@H]1[C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)OC)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 0.7917
- Num H Donors
- 6
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.3160
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Isorhamnetin-3-Alpha-L-Rhamnofuranoside
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Isorhamnetin-3-Alpha-L-Rhamnofuranoside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Isorhamnetin-3-alpha-L-rhamnofuranoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Isorhamnetin-3-alpha-l-rhamnofuranoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Isorhamnetin-3-alpha-l-rhamnofuranoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
isorhamnetin-3-alpha-l-rhamnofuranoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
isorhamnetin-3-α-l-rhamnofuranoside
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
isorhamnetin-3-α-l-rhamnofuranoside
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN031120
Tcmid
1166031375
Sym Map
SMIT19287
Pub Chem
5318648
Tcmbank
TCMBANKIN028614
Etcm Ingredient
Isorhamnetin-3-alpha-L-rhamnofuranoside
Itcmdb Generated
ITX-INGREDIENT-13411D8A5595
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C22H22O11/c1-8(23)19-17(28)18(29)22(32-19)33-21-16(27)15-12(26)6-10(24)7-14(15)31-20(21)9-3-4-11(25)13(5-9)30-2/h3-8,17-19,22-26,28-29H,1-2H3/t8?,17-,18+,19-,22-/m0/s1
Mol Wt
462.4070000000001
Smiles
CC(C1C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)OC)O)O)O
Mol Log P
0.7916999999999998
Version
v1,v2
In Ch Ikey
VCUKTRIKOSSHLY-HMMBGAFDSA-N
Suppress
0
Num Hdonors
6
Drug Likeness
0.316
Num Hacceptors
11
Isomeric Smiles
CC([C@H]1[C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)OC)O)O)O
Canonical Smiles
CC(C1C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)OC)O)O)O
Molecular Weight
462.120
Molecular Formula
C22H22O11
Molecular Formula
C22H22O11
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.037
Quantitative Estimate Of Drug Likeness（Qed）
0.316