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
- 8302
- Core Entity Id
- 12399
- Source Entity Count
- 1
- Preferred Name
- 7-cl-diboa-glc
- Name En
- Pubchem Id
- 636598
- Smiles Canonical
- C1=CC2=C(C=C1Cl)OC(C(=O)N2O)OC3C(C(C(C(O3)CO)O)O)O
- Molecular Formula
- C14H16ClNO9
- Molecular Weight
- 377.7330
- Inchikey
- XEGGMKDQOCMCAD-KPXALZLISA-N
- Inchi
- InChI=1S/C14H16ClNO9/c15-5-1-2-6-7(3-5)23-14(12(21)16(6)22)25-13-11(20)10(19)9(18)8(4-17)24-13/h1-3,8-11,13-14,17-20,22H,4H2/t8-,9+,10+,11-,13-,14-/m1/s1
- Isomeric Smiles
- C1=CC2=C(C=C1Cl)O[C@@H](C(=O)N2O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -1.4028
- Num H Donors
- 5
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.4010
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7-Cl-DIBOA-Glc
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7-cl-diboa-glc
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
7-cl-diboa-glc
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
小花老鼠簕
Role
TCM_name
Source
TCMBank
Preferred
No
Name
XIAO HUA LAO SHU LE
Role
TCM_name2
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
小花老鼠簕XIAO HUA LAO SHU LE
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013138
Tcmid
3815
Pub Chem
636598
Tcmbank
TCMBANKIN039827
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C14H16ClNO9/c15-5-1-2-6-7(3-5)23-14(12(21)16(6)22)25-13-11(20)10(19)9(18)8(4-17)24-13/h1-3,8-11,13-14,17-20,22H,4H2/t8-,9+,10+,11-,13-,14-/m1/s1
Mol Wt
377.7330000000001
Mol Log P
-1.4028
In Ch Ikey
XEGGMKDQOCMCAD-KPXALZLISA-N
Tcm Name
小花老鼠簕
Tcm Name2
XIAO HUA LAO SHU LE
Mol2 Path
/TCM_database/2007_3d_all/03815.mol2
Reference
5211
Num Hdonors
5
Drug Likeness
0.401
Num Hacceptors
9
Isomeric Smiles
C1=CC2=C(C=C1Cl)O[C@@H](C(=O)N2O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O
Canonical Smiles
C1=CC2=C(C=C1Cl)OC(C(=O)N2O)OC3C(C(C(C(O3)CO)O)O)O
Molecular Formula
C14H16ClNO9
Num Rotatable Bonds
3