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
- 5474
- Core Entity Id
- 9275
- Source Entity Count
- 1
- Preferred Name
- 4(15)-eudesmene-1beta,7beta-diol
- Name En
- Pubchem Id
- 11379428
- Smiles Canonical
- CC(C)C1(CCC2(C(CCC(=C)C2C1)O)C)O
- Molecular Formula
- C15H26O2
- Molecular Weight
- 238.3710
- Inchikey
- SWIPEIJPNVNEPT-GBJTYRQASA-N
- Inchi
- InChI=1S/C15H26O2/c1-10(2)15(17)8-7-14(4)12(9-15)11(3)5-6-13(14)16/h10,12-13,16-17H,3,5-9H2,1-2,4H3/t12-,13+,14+,15+/m0/s1
- Isomeric Smiles
- CC(C)[C@]1(CC[C@]2([C@@H](CCC(=C)[C@@H]2C1)O)C)O
- Cas Id
- Ob Score
- Mol Logp
- 2.8908
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6900
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4(15)-eudesmene-1beta,7beta-diol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4(15)-eudesmene-1beta,7beta-diol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
CHEMBL489130
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL489130
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
CHEMBL489130
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN009835
Npass
NPC269077
Tcmid
7506
Pub Chem
11379428
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H26O2/c1-10(2)15(17)8-7-14(4)12(9-15)11(3)5-6-13(14)16/h10,12-13,16-17H,3,5-9H2,1-2,4H3/t12-,13+,14+,15+/m0/s1
Mol Wt
238.371
Mol Log P
2.890800000000002
In Ch Ikey
SWIPEIJPNVNEPT-GBJTYRQASA-N
Num Hdonors
2
Drug Likeness
0.69
Num Hacceptors
2
Isomeric Smiles
CC(C)[C@]1(CC[C@]2([C@@H](CCC(=C)[C@@H]2C1)O)C)O
Canonical Smiles
CC(C)C1(CCC2(C(CCC(=C)C2C1)O)C)O
Herb Alias Names
CHEMBL489130
Molecular Formula
C15H26O2
Num Rotatable Bonds
1