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
- 40499
- Core Entity Id
- 83510
- Source Entity Count
- 1
- Preferred Name
- maesol
- Name En
- Pubchem Id
- 128958
- Smiles Canonical
- COc1cc(CCCCCCCCCCCCc2cc(O)c(C)c(OC)c2)cc(O)c1C
- Molecular Formula
- C28H42O4
- Molecular Weight
- 443.0000
- Inchikey
- ZERGSFDWJKBKBQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C28H42O4/c1-21-25(29)17-23(19-27(21)31-3)15-13-11-9-7-5-6-8-10-12-14-16-24-18-26(30)22(2)28(20-24)32-4/h17-20,29-30H,5-16H2,1-4H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 9.0000
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 15
- Drug Likeness
- Polar Surface Area
- 59.0000
- Molecular Volume
- 340.0000
- Alogp
- 9.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
maesol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
maesol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
苦楝皮
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Melia azedarach L
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Szechwan chinaberry bark
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
18.驱虫药(9-9)
Role
level1_name
Source
TCMBank
Preferred
No
Name
worm-expelling medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
苦楝皮Melia azedarach LSzechwan chinaberry bark18.驱虫药(9-9)worm-expelling medicinal
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN001266
Etcm Ingredient
maesol
Itcmdb Generated
ITX-INGREDIENT-575F9E593F14ITX-INGREDIENT-85786F2E4061
Attributes
Merged source attributes and domain-specific metadata.
Alog P
9
Smiles
C([H])([H])([H])c1c(OC([H])([H])[H])c([H])c(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])c2c([H])c(OC([H])([H])[H
])c(C([H])([H])[H])c(O[H])c2[H])c([H])c1O[H]
37 Flag
37
C Count
28
N Count
0
O Count
4
P Count
0
S Count
0
Tcm Name
苦楝皮
Tcm Name2
Melia azedarach L
Mol2 Path
/TCM_database/18.驱虫药(9-9)/苦楝皮/Melia azedarach L/3D/maesol.mol2
Tcm Name En
Szechwan chinaberry bark
Level1 Name
18.驱虫药(9-9)
Num H Donors
2
Level1 Name En
worm-expelling medicinal
Num H Acceptors
4
Molecular Weight
442.310
Molecular Volume
340
Molecular Weight
443
Molecular Formula
C28H42O4
Molecular Formula
C28H42O4
Num Rotatable Bonds
15
Molecular Polar Surface Area
59
Fda Maximum Daily Dose (Fdamdd)
0.570
Quantitative Estimate Of Drug Likeness（Qed）
0.282