Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8287
- Core Entity Id
- 12382
- Source Entity Count
- 1
- Preferred Name
- 7-(beta-xylosyl)cephalomannine
- Name En
- Pubchem Id
- 163082861
- Smiles Canonical
- C=C(O[C@@H]1C[C@@]2(O)[C@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)[C@@]3(C)C(=O)[C@@H](OC(C)=O)C(=C1C)C2(C)C)[C@H](O)[C@@H](NC(=O)/C(C)=C/C)c1ccccc1
- Molecular Formula
- C51H63NO17
- Molecular Weight
- 962.1500
- Inchikey
- ZVXASUNIAXYESJ-CPMIRZSNSA-N
- Inchi
- InChI=1S/C51H63NO17/c1-10-25(2)45(60)52-37(30-17-13-11-14-18-30)38(56)27(4)65-33-22-51(62)44(68-46(61)31-19-15-12-16-20-31)42-49(9,43(59)41(66-28(5)53)36(26(33)3)48(51,7)8)34(21-35-50(42,24-64-35)69-29(6)54)67-47-40(58)39(57)32(55)23-63-47/h10-20,32-35,37-42,44,47,55-58,62H,4,21-24H2,1-3,5-9H3,(H,52,60)/b25-10+/t32-,33+,34-,35+,37-,38-,39-,40+,41-,42-,44+,47-,49+,50-,51+/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- 27.3256
- Mol Logp
- 1.0000
- Num H Donors
- 6
- Num H Acceptors
- 17
- Num Rotatable Bonds
- 16
- Drug Likeness
- Polar Surface Area
- 263.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7-(Beta-Xylosyl)Cephalomannine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
7-(beta-Xylosyl)cephalomannine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7-(beta-Xylosyl)cephalomannine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
7-(beta-xylosyl)cephalomannine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
7-(beta-xylosyl)cephalomannine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
7-(beta-xylosyl)cephalomannine
Role
alias
Source
TCMBank
Preferred
No
Name
7-(β-xylosyl)cephalomannine
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-(β-xylosyl)cephalomannine
Role
alias
Source
HERB_v2
Preferred
No
Name
7-(β-xylosyl)cephalomannine
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
7-(β-xylosyl)cephalomannine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013123
Tcmid
2282932244
Tcmsp
MOL005302
Sym Map
SMIT01032
Tcmbank
TCMBANKIN040933
Etcm Ingredient
7-(beta-Xylosyl)cephalomannine
Itcmdb Generated
ITX-INGREDIENT-3F75EB0F30F3
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Smiles
[C@@]1([H])(OC(=O)C([H])([H])[H])C(=C(C([H])([H])[H])[C@]([H])(OC(=C([H])[H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)\C(=C([H])\C([H])([H])[H])\C([H])([H])[H])c2c([H])c([H])c([H])c([H])c2[H])C3([H])[H])C
(C([H])([H])[H])(C([H])([H])[H])[C@]3(O[H])[C@]([H])(OC(c4c([H])c([H])c([H])c([H])c4[H])=O)[C@]([H])([C@@]5(OC(=O)C([H])([H])[H])[C@]([H])(OC5([H])[H])C([H])([H])[C@@]6(O[C@]7([H])OC([H])([H])[C@]([H]
)(O[H])[C@]([H])(O[H])[C@@]7([H])O[H])[H])[C@]6(C([H])([H])[H])C1=O
Version
v1,v2
Ob Score
27.32561827.3256184527.326
Suppress
0
Tcm Name
酱果紫杉
Tcm Name2
JIANG GUO ZI SHAN
Mol2 Path
/TCM_database/2003_3d_all/9027.mol2
Reference
662
Tcm Name En
Common Yew
Molecule Weight
962.15
Herb Alias Names
7-(β-xylosyl)cephalomannine
Molecular Weight
961.410
Molecular Weight
962.15
Molecule Formula
C51H63NO17
Molecular Formula
C51H63NO17
Molecular Formula
C51H63NO17
Molecular Formula
C51H63NO17
Fda Maximum Daily Dose (Fdamdd)
0.374
Quantitative Estimate Of Drug Likeness（Qed）
0.073