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
- 8447
- Core Entity Id
- 12558
- Source Entity Count
- 1
- Preferred Name
- 7-hydroxy viteoid ii
- Name En
- Pubchem Id
- 11095628
- Smiles Canonical
- C1COC(=O)C2=C(C(C(C21)O)O)CO
- Molecular Formula
- C9H12O5
- Molecular Weight
- 200.1900
- Inchikey
- ZTORISRLTYWNKJ-BTZDVCGTSA-N
- Inchi
- InChI=1S/C9H12O5/c10-3-5-6-4(7(11)8(5)12)1-2-14-9(6)13/h4,7-8,10-12H,1-3H2/t4-,7+,8-/m1/s1
- Isomeric Smiles
- C1COC(=O)C2=C([C@H]([C@H]([C@@H]21)O)O)CO
- Cas Id
- Ob Score
- Mol Logp
- -1.4262
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.4520
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7-Hydroxy viteoid II
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
7-hydroxy viteoid ii
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
7-hydroxy viteoid ii
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7-hydroxy viteoid ii
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013293
Tcmid
10824
Pub Chem
11095628
Tcmbank
TCMBANKIN042095
Etcm Ingredient
7-Hydroxy viteoid II
Itcmdb Generated
ITX-INGREDIENT-FF78A6AA441A
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C9H12O5/c10-3-5-6-4(7(11)8(5)12)1-2-14-9(6)13/h4,7-8,10-12H,1-3H2/t4-,7+,8-/m1/s1
Mol Wt
200.19
Smiles
C1COC(=O)C2=C(C(C(C21)O)O)CO
Mol Log P
-1.4262
In Ch Ikey
ZTORISRLTYWNKJ-BTZDVCGTSA-N
Mol2 Path
/TCM_database/2007_3d_all/10825.mol2
Reference
3418
Num Hdonors
3
Drug Likeness
0.452
Num Hacceptors
5
Isomeric Smiles
C1COC(=O)C2=C([C@H]([C@H]([C@@H]21)O)O)CO
Canonical Smiles
C1COC(=O)C2=C(C(C(C21)O)O)CO
Molecular Weight
200.070
Molecular Weight
200.19 g/mol
Molecular Formula
C9H12O5
Molecular Formula
C9H12O5
Molecular Formula
C9H12O5
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.022
Quantitative Estimate Of Drug Likeness（Qed）
0.515