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
- 18812
- Core Entity Id
- 24089
- Source Entity Count
- 1
- Preferred Name
- Eudesma-4(15),11(13)-dien-12,5beta-olide
- Name En
- Pubchem Id
- 11020766
- Smiles Canonical
- CC12CCCC(=C)C13CC(CC2)C(=C)C(=O)O3
- Molecular Formula
- C15H20O2
- Molecular Weight
- 232.3230
- Inchikey
- LGGISTNQEQBGNY-YUELXQCFSA-N
- Inchi
- InChI=1S/C15H20O2/c1-10-5-4-7-14(3)8-6-12-9-15(10,14)17-13(16)11(12)2/h12H,1-2,4-9H2,3H3/t12-,14-,15+/m1/s1
- Isomeric Smiles
- C[C@]12CCCC(=C)[C@@]13C[C@@H](CC2)C(=C)C(=O)O3
- Cas Id
- Ob Score
- Mol Logp
- 3.3847
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.3630
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Eudesma-4(15),11(13)-dien-12,5-beta-olide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Eudesma-4(15),11(13)-dien-12,5beta-olide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Eudesma-4(15),11(13)-dien-12,5beta-olide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
CHEMBL2373412
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL2373412
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Eudesma-4(15),11(13)-dien-12,5-beta-olideCHEMBL2373412
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN026050
Npass
NPC155106
Tcmid
7492
Pub Chem
11020766
Etcm Ingredient
Eudesma-4(15),11(13)-dien-12,5-beta-olide
Itcmdb Generated
ITX-INGREDIENT-3715D89A414D
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H20O2/c1-10-5-4-7-14(3)8-6-12-9-15(10,14)17-13(16)11(12)2/h12H,1-2,4-9H2,3H3/t12-,14-,15+/m1/s1
Mol Wt
232.323
Mol Log P
3.384700000000002
In Ch Ikey
LGGISTNQEQBGNY-YUELXQCFSA-N
Num Hdonors
0
Drug Likeness
0.363
Num Hacceptors
2
Isomeric Smiles
C[C@]12CCCC(=C)[C@@]13C[C@@H](CC2)C(=C)C(=O)O3
Canonical Smiles
CC12CCCC(=C)C13CC(CC2)C(=C)C(=O)O3
Herb Alias Names
CHEMBL2373412
Molecular Weight
232.150
Molecular Formula
C15H20O2
Molecular Formula
C15H20O2
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.749
Quantitative Estimate Of Drug Likeness（Qed）
0.363