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
- 27103
- Core Entity Id
- 33312
- Source Entity Count
- 1
- Preferred Name
- Nantenoside b
- Name En
- Pubchem Id
- 122194515
- Smiles Canonical
- C1=CC(=CC=C1C=O)OC2C(C(C(C(O2)CO)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O
- Molecular Formula
- C22H22O10
- Molecular Weight
- 446.4080
- Inchikey
- BKWKAIUBTKATHZ-NDHXDJGDSA-N
- Inchi
- InChI=1S/C22H22O10/c23-10-13-1-5-14(6-2-13)30-22-20(29)19(28)21(17(11-24)31-22)32-18(27)8-4-12-3-7-15(25)16(26)9-12/h1-10,17,19-22,24-26,28-29H,11H2/b8-4+/t17-,19-,20-,21-,22-/m1/s1
- Isomeric Smiles
- C1=CC(=CC=C1C=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 0.3533
- Num H Donors
- 5
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.1740
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Nantenoside B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Nantenoside b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Nantenoside b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
南天竹叶
Role
TCM_name
Source
TCMBank
Preferred
No
Name
NAN TIAN ZHU YE
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Common Nandina Leaf
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
CHEMBL3629700
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL3629700
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
南天竹叶NAN TIAN ZHU YECommon Nandina LeafCHEMBL3629700
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN036301
Tcmid
15240
Pub Chem
122194515
Tcmbank
TCMBANKIN044109
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C22H22O10/c23-10-13-1-5-14(6-2-13)30-22-20(29)19(28)21(17(11-24)31-22)32-18(27)8-4-12-3-7-15(25)16(26)9-12/h1-10,17,19-22,24-26,28-29H,11H2/b8-4+/t17-,19-,20-,21-,22-/m1/s1
Mol Wt
446.4080000000001
Mol Log P
0.3532999999999993
In Ch Ikey
BKWKAIUBTKATHZ-NDHXDJGDSA-N
Tcm Name
南天竹叶
Tcm Name2
NAN TIAN ZHU YE
Mol2 Path
/TCM_database/2007_3d_all/15248.mol2
Reference
2603
Num Hdonors
5
Tcm Name En
Common Nandina Leaf
Drug Likeness
0.174
Num Hacceptors
10
Isomeric Smiles
C1=CC(=CC=C1C=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O
Canonical Smiles
C1=CC(=CC=C1C=O)OC2C(C(C(C(O2)CO)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O
Herb Alias Names
CHEMBL3629700
Molecular Weight
446.4 g/mol
Molecular Formula
C22H22O10
Num Rotatable Bonds
7