Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 8Ingredient: 1Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 36585
- Core Entity Id
- 43860
- Source Entity Count
- 1
- Preferred Name
- Vitexin-7-glucoside
- Name En
- Pubchem Id
- 101406316
- Smiles Canonical
- C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC4C(C(C(C(O4)CO)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O
- Molecular Formula
- C27H30O15
- Molecular Weight
- 594.5220
- Inchikey
- HHRPSKAYQPDDGQ-WIQAIWCDSA-N
- Inchi
- InChI=1S/C27H30O15/c28-7-15-19(33)21(35)23(37)26(40-15)18-14(41-27-24(38)22(36)20(34)16(8-29)42-27)6-12(32)17-11(31)5-13(39-25(17)18)9-1-3-10(30)4-2-9/h1-6,15-16,19-24,26-30,32-38H,7-8H2/t15-,16-,19-,20-,21+,22+,23-,24-,26+,27-/m1/s1
- Isomeric Smiles
- C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O
- Cas Id
- Ob Score
- 16.6540
- Mol Logp
- -2.4352
- Num H Donors
- 10
- Num H Acceptors
- 15
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.1420
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Vitexin-7-Glucoside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Vitexin-7-glucoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Vitexin-7-glucoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Vitexin-7-glucoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Vitexin-7-glucoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
AKOS040735022
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040735022
Role
alias
Source
HERB_v2
Preferred
No
Name
Vitexin 7-glucoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Vitexin 7-glucoside
Role
alias
Source
HERB_v2
Preferred
No
Name
vitexin-7-glucoside
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
AKOS040735022Vitexin 7-glucoside
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN048117
Npass
NPC77869
Tcmid
22566
Tcmsp
MOL008510
Sym Map
SMIT09792
Pub Chem
101406316
Tcmbank
TCMBANKIN024125
Etcm Ingredient
Vitexin-7-glucoside
Itcmdb Generated
ITX-INGREDIENT-9E3EF8279567
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C27H30O15/c28-7-15-19(33)21(35)23(37)26(40-15)18-14(41-27-24(38)22(36)20(34)16(8-29)42-27)6-12(32)17-11(31)5-13(39-25(17)18)9-1-3-10(30)4-2-9/h1-6,15-16,19-24,26-30,32-38H,7-8H2/t15-,16-,19-,20-,21+,22+,23-,24-,26+,27-/m1/s1
Mol Wt
594.5220000000004
Smiles
C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC4C(C(C(C(O4)CO)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O
Mol Log P
-2.4352
Version
v1,v2
In Ch Ikey
HHRPSKAYQPDDGQ-WIQAIWCDSA-N
Ob Score
16.65416.65405516.65405521
Suppress
0
Num Hdonors
10
Drug Likeness
0.142
Num Hacceptors
15
Isomeric Smiles
C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O
Molecule Weight
594.57
Canonical Smiles
C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC4C(C(C(C(O4)CO)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O
Herb Alias Names
Vitexin 7-glucosideAKOS040735022
Molecular Weight
594.160
Molecular Weight
594.57
Molecular Formula
C27H30O15
Molecular Formula
C27H30O15
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.001
Quantitative Estimate Of Drug Likeness（Qed）
0.142