Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Target: 1Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 55427
- Core Entity Id
- 98438
- Source Entity Count
- 1
- Preferred Name
- 蝙蝠葛根
- Name En
- Pubchem Id
- 73400
- Smiles Canonical
- COc1cc2c(cc1OC)[C@@H](Cc1ccc(Oc3cc(C[C@@H]4c5cc(OC)c(OC)cc5CCN4C)ccc3O)cc1)N(C)CC2
- Molecular Formula
- C38H44N2O6
- Molecular Weight
- 624.8000
- Inchikey
- AQASRZOCERRGBL-ROJLCIKYSA-N
- Inchi
- InChI=1S/C38H44N2O6/c1-39-15-13-26-20-35(42-3)37(44-5)22-29(26)31(39)17-24-7-10-28(11-8-24)46-34-19-25(9-12-33(34)41)18-32-30-23-38(45-6)36(43-4)21-27(30)14-16-40(32)2/h7-12,19-23,31-32,41H,13-18H2,1-6H3/t31-,32-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 6.7000
- Num H Donors
- 1
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 10
- Drug Likeness
- Polar Surface Area
- 72.9000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
蝙蝠葛根
Role
TCM_name
Source
TCMBank
Preferred
No
Name
BIAN FU GE GEN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Asiatic Moonseed Root
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
BIAN FU GE GENAsiatic Moonseed Root
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN053564
Itcmdb Generated
ITX-INGREDIENT-973167D66268
Attributes
Merged source attributes and domain-specific metadata.
Smiles
C1([H])([H])C([H])([H])c(c([H])c(OC([H])([H])[H])c(OC([H])([H])[H])c2[H])c2[C@@]([H])(C([H])([H])c(c([H])c([H])c(O[H])c3Oc(c([H])c([H])c4C([H])([H])[C@@]5([H])N(C([H])([H])[H])C([H])([H])C([H])([H])c(
c([H])c6OC([H])([H])[H])c5c([H])c6OC([H])([H])[H])c([H])c4[H])c3[H])N1C([H])([H])[H]
Tcm Name
蝙蝠葛根
Tcm Name2
BIAN FU GE GEN
Mol2 Path
/TCM_database/2003_3d_all/1931.mol2
Reference
4, 6, 658, 5501
Tcm Name En
Asiatic Moonseed Root
Molecular Formula
C38H44N2O6