Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 4756
- Core Entity Id
- 8478
- Source Entity Count
- 1
- Preferred Name
- 3-o-(2,3-dimethylbutanoyl)-13-o-dodecanoyl-20-deoxyingenol
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C38H60O7
- Molecular Weight
- 628.9800
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- 30.8160
- Mol Logp
- 8.0000
- Num H Donors
- 2
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 16
- Drug Likeness
- Polar Surface Area
- 110.0000
- Molecular Volume
- 476.0000
- Alogp
- 8.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-O-(2,3-Dimethylbutanoyl)-13-O-Dodecanoyl-20-Deoxyingenol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3-O-(2,3-Dimethylbutanoyl)-13-O-dodecanoyl-20-deoxyingenol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-o-(2,3-dimethylbutanoyl)-13-o-dodecanoyl-20-deoxyingenol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3-o-(2,3-dimethylbutanoyl)-13-o-dodecanoyl-20-deoxyingenol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3-o-(2,3-dimethylbutanoyl)-13-o-dodecanoyl-20-deoxyingenol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3-o-(2,3-dimethylbutanoyl)-13-o-dodecanoyl-20-deoxyingenol
Role
alias
Source
TCMBank
Preferred
No
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN008992
Tcmid
6323
Tcmsp
MOL002603
Sym Map
SMIT04815SMIT15159
Tcmbank
TCMBANKIN038583
Etcm Ingredient
3-o-(2,3-dimethylbutanoyl)-13-o-dodecanoyl-20-deoxyingenol
Itcmdb Generated
ITX-INGREDIENT-7C0DE91E3E06
Attributes
Merged source attributes and domain-specific metadata.
Alog P
8
37 Flag
37
C Count
38
N Count
0
O Count
7
P Count
0
S Count
0
Version
v1,v2
Ob Score
30.81630.8162649930.816265
Suppress
1
Mol2 Path
/TCM_database/2007_3d_all/06324.mol2
Reference
4368
Num H Donors
2
Molecule Weight
628.98
Num H Acceptors
7
Molecular Weight
628.430
Molecular Volume
476
Molecular Weight
628.98
Molecule Formula
C38H60O7
Molecular Formula
C38H60O7
Link Ingredient Id
4815.0
Num Rotatable Bonds
16
Molecular Polar Surface Area
110
Fda Maximum Daily Dose (Fdamdd)
0.426
Quantitative Estimate Of Drug Likeness（Qed）
0.118