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: 1Target: 2Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 18807
- Core Entity Id
- 24083
- Source Entity Count
- 1
- Preferred Name
- (?)-eudesma-3,11-dien-5-ol
- Name En
- Pubchem Id
- 12011812
- Smiles Canonical
- CC1=CCCC2(C1(CC(CC2)C(=C)C)O)C
- Molecular Formula
- C15H24O
- Molecular Weight
- 220.3560
- Inchikey
- PWKUFWSNBDVOCV-KFWWJZLASA-N
- Inchi
- InChI=1S/C15H24O/c1-11(2)13-7-9-14(4)8-5-6-12(3)15(14,16)10-13/h6,13,16H,1,5,7-10H2,2-4H3/t13-,14-,15+/m1/s1
- Isomeric Smiles
- CC1=CCC[C@]2([C@@]1(C[C@@H](CC2)C(=C)C)O)C
- Cas Id
- Ob Score
- Mol Logp
- 3.8401
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6660
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(-)-Eudesma-3,11-dien-5-ol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(?)-eudesma-3,11-dien-5-ol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(?)-eudesma-3,11-dien-5-ol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(?)-eudesma-3,11-dien-5-ol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
(-)-Eudesma-3,11-dien-5-ol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN026042
Npass
NPC302738
Tcmid
7491
Pub Chem
12011812
Tcmbank
TCMBANKIN010705
Etcm Ingredient
(-)-Eudesma-3,11-dien-5-ol
Itcmdb Generated
ITX-INGREDIENT-597FBD3CF1D1
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H24O/c1-11(2)13-7-9-14(4)8-5-6-12(3)15(14,16)10-13/h6,13,16H,1,5,7-10H2,2-4H3/t13-,14-,15+/m1/s1
Mol Wt
220.356
Smiles
CC1=CCCC2(C1(CC(CC2)C(=C)C)O)C
Mol Log P
3.840100000000003
In Ch Ikey
PWKUFWSNBDVOCV-KFWWJZLASA-N
Num Hdonors
1
Drug Likeness
0.666
Num Hacceptors
1
Isomeric Smiles
CC1=CCC[C@]2([C@@]1(C[C@@H](CC2)C(=C)C)O)C
Canonical Smiles
CC1=CCCC2(C1(CC(CC2)C(=C)C)O)C
Molecular Weight
220.180
Molecular Formula
C15H24O
Molecular Formula
C15H24O
Molecular Formula
C15H24O
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.493
Quantitative Estimate Of Drug Likeness（Qed）
0.666