Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 18838
- Core Entity Id
- 24118
- Source Entity Count
- 1
- Preferred Name
- Euglobal ic
- Name En
- Pubchem Id
- 10407823
- Smiles Canonical
- c1(O[H])c(C([H])=O)c(O[C@]2(C([H])([H])C([H])([H])[C@](C([H])(C([H])([H])[H])C([H])([H])[H])(C3([H])[H])[C@@]23[H])C([H])([H])[C@@]4([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])c4c(O[H])c1C([H ])=O
- Molecular Formula
- C23H30O5
- Molecular Weight
- 386.4880
- Inchikey
- DRQVGVASTZKOLP-DTKQMDLBSA-N
- Inchi
- InChI=1S/C23H30O5/c1-12(2)7-14-8-23(6-5-22(13(3)4)9-17(22)23)28-21-16(11-25)19(26)15(10-24)20(27)18(14)21/h10-14,17,26-27H,5-9H2,1-4H3/t14-,17-,22+,23-/m1/s1
- Isomeric Smiles
- CC(C)C[C@@H]1C[C@@]2(CC[C@@]3([C@H]2C3)C(C)C)OC4=C(C(=C(C(=C14)O)C=O)O)C=O
- Cas Id
- Ob Score
- Mol Logp
- 4.8299
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.7080
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Euglobal Ic
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Euglobal ic
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Euglobal ic
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Euglobal- Ic
Role
preferred
Source
TCMBank
Preferred
Yes
Name
桉叶
Role
TCM_name
Source
TCMBank
Preferred
No
Name
AN YE
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
EucaIyptus Leaf
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Euglobal- Ic桉叶AN YEEucaIyptus Leaf
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN026085
Npass
NPC209315
Tcmid
257397528
Pub Chem
10407823
Tcmbank
TCMBANKIN012890
Etcm Ingredient
Euglobal Ic
Itcmdb Generated
ITX-INGREDIENT-309009D50364ITX-INGREDIENT-B3AF3894A9B8
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C23H30O5/c1-12(2)7-14-8-23(6-5-22(13(3)4)9-17(22)23)28-21-16(11-25)19(26)15(10-24)20(27)18(14)21/h10-14,17,26-27H,5-9H2,1-4H3/t14-,17-,22+,23-/m1/s1
Mol Wt
386.4880000000001
Smiles
c1(O[H])c(C([H])=O)c(O[C@]2(C([H])([H])C([H])([H])[C@](C([H])(C([H])([H])[H])C([H])([H])[H])(C3([H])[H])[C@@]23[H])C([H])([H])[C@@]4([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])c4c(O[H])c1C([H
])=O
Mol Log P
4.829900000000007
In Ch Ikey
DRQVGVASTZKOLP-DTKQMDLBSA-N
Tcm Name
桉叶
Tcm Name2
AN YE
Mol2 Path
/TCM_database/2003_3d_all/2976.mol2
Reference
997, 982
Num Hdonors
2
Tcm Name En
EucaIyptus Leaf
Drug Likeness
0.708
Num Hacceptors
5
Isomeric Smiles
CC(C)C[C@@H]1C[C@@]2(CC[C@@]3([C@H]2C3)C(C)C)OC4=C(C(=C(C(=C14)O)C=O)O)C=O
Canonical Smiles
CC(C)CC1CC2(CCC3(C2C3)C(C)C)OC4=C(C(=C(C(=C14)O)C=O)O)C=O
Molecular Weight
386.210
Molecular Formula
C23H30O5
Molecular Formula
C23H30O5
Molecular Formula
C23H30O5
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.966
Quantitative Estimate Of Drug Likeness（Qed）
0.708