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
- 23117
- Core Entity Id
- 28883
- Source Entity Count
- 1
- Preferred Name
- Iupeol palmitate
- Name En
- Pubchem Id
- 163060305
- Smiles Canonical
- C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@@H](CC[C@@H]4[C@]5(C)CC[C@@H](OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12
- Molecular Formula
- C57H102O2
- Molecular Weight
- 818.7900
- Inchikey
- IRJWMWQEMBWDAI-HILRFIHDSA-N
- Inchi
- InChI=1S/C57H102O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-51(58)59-50-39-41-55(7)48(53(50,4)5)38-42-57(9)49(55)36-35-47-52-46(45(2)3)37-40-54(52,6)43-44-56(47,57)8/h46-50,52H,2,10-44H2,1,3-9H3/t46-,47-,48+,49+,50+,52+,54+,55+,56+,57+/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 23.7000
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 28
- Drug Likeness
- Polar Surface Area
- 26.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Iupeol palmitate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Iupeol palmitate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Iupeol palmitate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Iupeol palmitate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
印度蛇菇
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YIN DU SHE GU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Indian BaIanophora
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
印度蛇菇YIN DU SHE GUIndian BaIanophora
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN031384
Tcmid
30107
Tcmbank
TCMBANKIN049733
Etcm Ingredient
Iupeol palmitate
Itcmdb Generated
ITX-INGREDIENT-D7C20FDF1C75
Attributes
Merged source attributes and domain-specific metadata.
Smiles
C1([H])([H])C([H])([H])[C@@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])([H])[C@@]([H])([C@@]([H])([C@]([H])(C(=C([H])[H])C([H])([H])[H])C([H])([H])C2([H])[H])[C@@]2(C([H])([H])[H])C([H])([H])C3([H])
[H])[C@@]34C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C5([H])[H])[C@@]5([H])C(C([H])([H])[H])(C([H])([H])[H])[C@]1([H])OC(=O)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])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])C([H])
([H])C([H])([H])[H]
Tcm Name
印度蛇菇
Tcm Name2
YIN DU SHE GU
Mol2 Path
/TCM_database/2003_3d_all/4572.mol2
Reference
633
Tcm Name En
Indian BaIanophora
Molecular Weight
818.790
Molecular Formula
C57H102O2
Molecular Formula
C57H102O2
Molecular Formula
C57H102O2
Fda Maximum Daily Dose (Fdamdd)
0.407
Quantitative Estimate Of Drug Likeness（Qed）
0.047