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
- 16936
- Core Entity Id
- 21994
- Source Entity Count
- 1
- Preferred Name
- Dibenzoylgagamiol
- Name En
- Pubchem Id
- 162830038
- Smiles Canonical
- C[C@H](CC(=O)c1ccccc1)[C@]1(O)CC[C@]2(O)[C@]3(O)[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)c3ccccc3)[C@@]21C
- Molecular Formula
- C36H44O8
- Molecular Weight
- 604.3000
- Inchikey
- VTJFPSRESMPFHC-OFLKKYTMSA-N
- Inchi
- InChI=1S/C36H44O8/c1-22(18-27(38)23-10-6-4-7-11-23)34(41)16-17-35(42)33(34,3)30(44-31(40)24-12-8-5-9-13-24)21-28-32(2)15-14-26(37)19-25(32)20-29(39)36(28,35)43/h4-13,20,22,26,28-30,37,39,41-43H,14-19,21H2,1-3H3/t22-,26+,28-,29-,30-,32+,33-,34-,35-,36-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.1000
- Num H Donors
- 5
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 7
- Drug Likeness
- Polar Surface Area
- 145.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dibenzoylgagamiol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Dibenzoylgagamiol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Dibenzoylgagamiol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Dibenzoylgagamiol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
萝藦
Role
TCM_name
Source
TCMBank
Preferred
No
Name
LUO MO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Japanese Metaplexis
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
萝藦LUO MOJapanese Metaplexis
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN023613
Tcmid
30897
Tcmbank
TCMBANKIN043708
Etcm Ingredient
Dibenzoylgagamiol
Itcmdb Generated
ITX-INGREDIENT-81343B8826A8
Attributes
Merged source attributes and domain-specific metadata.
Smiles
c1([H])c(C(=O)O[C@@]2([H])[C@](C([H])([H])[H])([C@](O[H])([C@]([H])(C([H])([H])[H])C([H])([H])C(=O)c3c([H])c([H])c([H])c([H])c3[H])C([H])([H])C4([H])[H])[C@@]4(O[H])[C@](O[H])([C@]([H])(O[H])C([H])=C(
C([H])([H])[C@@]([H])(O[H])C([H])([H])C5([H])[H])[C@]56C([H])([H])[H])[C@]6([H])C2([H])[H])c([H])c([H])c([H])c1[H]
Tcm Name
萝藦
Tcm Name2
LUO MO
Mol2 Path
/TCM_database/2003_3d_all/2249.mol2
Reference
6
Tcm Name En
Japanese Metaplexis
Molecular Weight
604.300
Molecular Formula
C36H44O8
Molecular Formula
C36H44O8
Molecular Formula
C36H44O8
Fda Maximum Daily Dose (Fdamdd)
0.958
Quantitative Estimate Of Drug Likeness（Qed）
0.189