Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 18806
- Core Entity Id
- 24082
- Source Entity Count
- 1
- Preferred Name
- (?)-eudesma-2,4(15),11-triene
- Name En
- Pubchem Id
- 12011811
- Smiles Canonical
- CC(=C)C1CCC2(CC=CC(=C)C2C1)C
- Molecular Formula
- C15H22
- Molecular Weight
- 202.3410
- Inchikey
- DDLAIUOYTHJYGD-QLFBSQMISA-N
- Inchi
- InChI=1S/C15H22/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h5-6,13-14H,1,3,7-10H2,2,4H3/t13-,14+,15-/m1/s1
- Isomeric Smiles
- CC(=C)[C@@H]1CC[C@]2(CC=CC(=C)[C@@H]2C1)C
- Cas Id
- Ob Score
- Mol Logp
- 4.5012
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5490
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(-)-Eudesma-2,4(15),11-triene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(?)-eudesma-2,4(15),11-triene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(?)-eudesma-2,4(15),11-triene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(?)-eudesma-2,4(15),11-triene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
(-)-Eudesma-2,4(15),11-triene
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN026041
Npass
NPC127426
Tcmid
7498
Pub Chem
12011811
Tcmbank
TCMBANKIN005576
Etcm Ingredient
(-)-Eudesma-2,4(15),11-triene
Itcmdb Generated
ITX-INGREDIENT-F238FFAC0B27
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H22/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h5-6,13-14H,1,3,7-10H2,2,4H3/t13-,14+,15-/m1/s1
Mol Wt
202.341
Smiles
CC(=C)C1CCC2(CC=CC(=C)C2C1)C
Mol Log P
4.501200000000004
In Ch Ikey
DDLAIUOYTHJYGD-QLFBSQMISA-N
Num Hdonors
0
Drug Likeness
0.549
Num Hacceptors
0
Isomeric Smiles
CC(=C)[C@@H]1CC[C@]2(CC=CC(=C)[C@@H]2C1)C
Canonical Smiles
CC(=C)C1CCC2(CC=CC(=C)C2C1)C
Molecular Weight
202.170
Molecular Formula
C15H22
Molecular Formula
C15H22
Molecular Formula
C15H22
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.948
Quantitative Estimate Of Drug Likeness（Qed）
0.549