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
- 48933
- Core Entity Id
- 91944
- Source Entity Count
- 1
- Preferred Name
- 4-epi-4-deoxyphorbol 12,13-bis(isobutyrate)
- Name En
- Pubchem Id
- 162868833
- Smiles Canonical
- CC1=CC2C(CC(CO)=CC3C4C(C)(C)C4(OC(=O)C(C)C)C(OC(=O)C(C)C)C(C)C23O)C1=O
- Molecular Formula
- C28H40O7
- Molecular Weight
- 488.2800
- Inchikey
- HHPIZKZZGUIAPH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C28H40O7/c1-13(2)24(31)34-23-16(6)27(33)19-9-15(5)21(30)18(19)10-17(12-29)11-20(27)22-26(7,8)28(22,23)35-25(32)14(3)4/h9,11,13-14,16,18-20,22-23,29,33H,10,12H2,1-8H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.2000
- Num H Donors
- 2
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 7
- Drug Likeness
- Polar Surface Area
- 110.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-Epi-4-deoxyphorbol 12,13-bis(isobutyrate)
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
4-epi-4-deoxyphorbol 12,13-bis(isobutyrate)
Role
preferred
Source
TCMBank
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.
钝叶大戟DUN YE DA JIObtuseleaf Euphorbia*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010352
Tcmbank
TCMBANKIN029989TCMBANKIN060294
Etcm Ingredient
4-Epi-4-deoxyphorbol 12,13-bis(isobutyrate)
Itcmdb Generated
ITX-INGREDIENT-822417626EEBITX-INGREDIENT-DB99F493001A
Attributes
Merged source attributes and domain-specific metadata.
Smiles
CC1C(C2(C(C2(C)C)C3C1(C4C=C(C(=O)C4CC(=C3)CO)C)O)OC(=O)C(C)C)OC(=O)C(C)C
Tcm Name
钝叶大戟
Tcm Name2
DUN YE DA JI
Mol2 Path
/TCM_database/2007_3d_all/06892.mol2
Reference
2365
Tcm Name En
Obtuseleaf Euphorbia*
Molecular Weight
488.280
Molecular Formula
C28H40O7
Molecular Formula
C28H40O7
Fda Maximum Daily Dose (Fdamdd)
0.035
Quantitative Estimate Of Drug Likeness（Qed）
0.451