IngredientID 2535
(2r,3r,4r,5r,7s,8s,9s,11e,13s,15r)-2,3,5,7,8,9,15-heptahydroxyjatropha-6(17),11-diene-14-one-7,9-diacetate-8-benzoate-2,3-bis(2-me-thylbutyrate)
C41H56O13
Relationship Network
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2535
- Core Entity Id
- 6005
- Source Entity Count
- 1
- Preferred Name
- (2r,3r,4r,5r,7s,8s,9s,11e,13s,15r)-2,3,5,7,8,9,15-heptahydroxyjatropha-6(17),11-diene-14-one-7,9-diacetate-8-benzoate-2,3-bis(2-me-thylbutyrate)
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C41H56O13
- Molecular Weight
- 756.3700
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- Num H Donors
- Num H Acceptors
- Num Rotatable Bonds
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(2R,3R,4R,5R,7S,8S,9S,11E,13S,15R)-2,3,5,7,8,9,15-Heptahydro-xyjatropha-6(17),11-diene-14-one-7,9-diacetate-8-benzoate-2,3-bis(2-methylbutyrate)
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2R,3R,4R,5R,7S,8S,9S,11E,13S,15R)-2,3,5,7,8,9,15-Heptahydro-xyjatropha-6(17),11-diene-14-one-7,9-diacetate-8-benzoate-2,3-bis(2-methylbutyrate)
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(2r,3r,4r,5r,7s,8s,9s,11e,13s,15r)-2,3,5,7,8,9,15-heptahydroxyjatropha-6(17),11-diene-14-one-7,9-diacetate-8-benzoate-2,3-bis(2-me-thylbutyrate)
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(2r,3r,4r,5r,7s,8s,9s,11e,13s,15r)-2,3,5,7,8,9,15-heptahydroxyjatropha-6(17),11-diene-14-one-7,9-diacetate-8-benzoate-2,3-bis(2-me-thylbutyrate)
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
钝叶大戟
Role
TCM_name
Source
TCMBank
Preferred
No
Name
DUN YE DA JI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Obtuseleaf Euphorbia*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2R,3R,4R,5R,7S,8S,9S,11E,13S,15R)-2,3,5,7,8,9,15-Heptahydro-xyjatropha-6(17),11-diene-14-one-7,9-diacetate-8-benzoate-2,3-bis(2-methylbutyrate)钝叶大戟DUN YE DA JIObtuseleaf Euphorbia*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN006420
Tcmid
9394
Tcmbank
TCMBANKIN003913
Etcm Ingredient
(2R,3R,4R,5R,7S,8S,9S,11E,13S,15R)-2,3,5,7,8,9,15-Heptahydro-xyjatropha-6(17),11-diene-14-one-7,9-diacetate-8-benzoate-2,3-bis(2-methylbutyrate)
Itcmdb Generated
ITX-INGREDIENT-024E0EDA283EITX-INGREDIENT-123126ADFE6D
Attributes
Merged source attributes and domain-specific metadata.
Tcm Name
钝叶大戟
Tcm Name2
DUN YE DA JI
Mol2 Path
/TCM_database/2007_3d_all/09395.mol2
Reference
2365, 5356
Tcm Name En
Obtuseleaf Euphorbia*
Molecular Weight
756.370
Molecular Formula
C41H56O13
Molecular Formula
C41H56O13
Fda Maximum Daily Dose (Fdamdd)
0.008
Quantitative Estimate Of Drug Likeness（Qed）
0.188