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
- 18839
- Core Entity Id
- 24119
- Source Entity Count
- 1
- Preferred Name
- Euglobal iia
- Name En
- Pubchem Id
- 25157154
- Smiles Canonical
- CC(C)CC(=O)C1=C(C(=C2C(=C1O)CC3CC(C=CC3(O2)C)C(C)C)C=O)O
- Molecular Formula
- C23H30O5
- Molecular Weight
- 386.4880
- Inchikey
- YGCRQAOHADEOEC-JIQFQSSQSA-N
- Inchi
- InChI=1S/C23H30O5/c1-12(2)8-18(25)19-20(26)16-10-15-9-14(13(3)4)6-7-23(15,5)28-22(16)17(11-24)21(19)27/h6-7,11-15,26-27H,8-10H2,1-5H3/t14-,15+,23+/m0/s1
- Isomeric Smiles
- CC(C)CC(=O)C1=C(C(=C2C(=C1O)C[C@H]3C[C@H](C=C[C@]3(O2)C)C(C)C)C=O)O
- Cas Id
- Ob Score
- Mol Logp
- 4.6810
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.4360
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Euglobal Iia
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Euglobal Iia
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Euglobal iia
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Euglobal iia
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
桉叶
Role
TCM_name
Source
TCMBank
Preferred
No
Name
AN YE
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Eucalyptus Leaf
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
SCHEMBL96377
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL96377
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
桉叶AN YEEucalyptus LeafSCHEMBL96377
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN026086
Tcmid
7529
Pub Chem
25157154
Tcmbank
TCMBANKIN044131
Etcm Ingredient
Euglobal Iia
Itcmdb Generated
ITX-INGREDIENT-9C15D2A008CD
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C23H30O5/c1-12(2)8-18(25)19-20(26)16-10-15-9-14(13(3)4)6-7-23(15,5)28-22(16)17(11-24)21(19)27/h6-7,11-15,26-27H,8-10H2,1-5H3/t14-,15+,23+/m0/s1
Mol Wt
386.4880000000001
Mol Log P
4.681000000000005
In Ch Ikey
YGCRQAOHADEOEC-JIQFQSSQSA-N
Tcm Name
桉叶
Tcm Name2
AN YE
Mol2 Path
/TCM_database/2007_3d_all/07530.mol2
Reference
977, 982
Num Hdonors
2
Tcm Name En
Eucalyptus Leaf
Drug Likeness
0.436
Num Hacceptors
5
Isomeric Smiles
CC(C)CC(=O)C1=C(C(=C2C(=C1O)C[C@H]3C[C@H](C=C[C@]3(O2)C)C(C)C)C=O)O
Canonical Smiles
CC(C)CC(=O)C1=C(C(=C2C(=C1O)CC3CC(C=CC3(O2)C)C(C)C)C=O)O
Herb Alias Names
SCHEMBL96377
Molecular Weight
386.210
Molecular Formula
C23H30O5
Molecular Formula
C23H30O5
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.964
Quantitative Estimate Of Drug Likeness（Qed）
0.708