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
- 11390
- Core Entity Id
- 15826
- Source Entity Count
- 1
- Preferred Name
- Aristolide b
- Name En
- Pubchem Id
- 10730440
- Smiles Canonical
- C1C2C3=C(C4=CC=CC=C41)C5=C(C=C3C(=O)O2)OCO5
- Molecular Formula
- C16H10O4
- Molecular Weight
- 266.2520
- Inchikey
- OGIGOVQXGYADQG-NSHDSACASA-N
- Inchi
- InChI=1S/C16H10O4/c17-16-10-6-12-15(19-7-18-12)14-9-4-2-1-3-8(9)5-11(20-16)13(10)14/h1-4,6,11H,5,7H2/t11-/m0/s1
- Isomeric Smiles
- C1[C@H]2C3=C(C4=CC=CC=C41)C5=C(C=C3C(=O)O2)OCO5
- Cas Id
- Ob Score
- Mol Logp
- 2.8499
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6880
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Aristolide B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Aristolide B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Aristolide b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Aristolide b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
关木通
Role
TCM_name
Source
TCMBank
Preferred
No
Name
GUAN MU TONG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Manchurian Dutchmanspipe
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
关木通GUAN MU TONGManchurian Dutchmanspipe
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN016793
Tcmid
1708
Pub Chem
10730440
Tcmbank
TCMBANKIN045090
Etcm Ingredient
Aristolide B
Itcmdb Generated
ITX-INGREDIENT-A4F4C759ADFD
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H10O4/c17-16-10-6-12-15(19-7-18-12)14-9-4-2-1-3-8(9)5-11(20-16)13(10)14/h1-4,6,11H,5,7H2/t11-/m0/s1
Mol Wt
266.252
Mol Log P
2.849900000000001
In Ch Ikey
OGIGOVQXGYADQG-NSHDSACASA-N
Tcm Name
关木通
Tcm Name2
GUAN MU TONG
Mol2 Path
/TCM_database/2007_3d_all/01708.mol2
Reference
4706
Num Hdonors
0
Tcm Name En
Manchurian Dutchmanspipe
Drug Likeness
0.688
Num Hacceptors
4
Isomeric Smiles
C1[C@H]2C3=C(C4=CC=CC=C41)C5=C(C=C3C(=O)O2)OCO5
Canonical Smiles
C1C2C3=C(C4=CC=CC=C41)C5=C(C=C3C(=O)O2)OCO5
Molecular Weight
264.040
Molecular Weight
266.25 g/mol
Molecular Formula
C16H8O4
Molecular Formula
C16H10O4
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.926
Quantitative Estimate Of Drug Likeness（Qed）
0.355