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
- 7499
- Core Entity Id
- 11517
- Source Entity Count
- 1
- Preferred Name
- 6beta,14-epoxyeudesm-4(15)-en-1beta-ol
- Name En
- Pubchem Id
- 11139129
- Smiles Canonical
- CC(C)C1CCC23COC1C2C(=C)CCC3O
- Molecular Formula
- C15H24O2
- Molecular Weight
- 236.3550
- Inchikey
- UGTNMBUGYLPZBY-NJVJYBDUSA-N
- Inchi
- InChI=1S/C15H24O2/c1-9(2)11-6-7-15-8-17-14(11)13(15)10(3)4-5-12(15)16/h9,11-14,16H,3-8H2,1-2H3/t11-,12+,13+,14+,15+/m0/s1
- Isomeric Smiles
- CC(C)[C@@H]1CC[C@]23CO[C@H]1[C@H]2C(=C)CC[C@H]3O
- Cas Id
- Ob Score
- Mol Logp
- 2.7647
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7090
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6beta,14-epoxyeudesm-4(15)-en-1beta-ol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
6beta,14-epoxyeudesm-4(15)-en-1beta-ol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012238
Tcmid
7096
Pub Chem
11139129
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H24O2/c1-9(2)11-6-7-15-8-17-14(11)13(15)10(3)4-5-12(15)16/h9,11-14,16H,3-8H2,1-2H3/t11-,12+,13+,14+,15+/m0/s1
Mol Wt
236.355
Mol Log P
2.764700000000002
In Ch Ikey
UGTNMBUGYLPZBY-NJVJYBDUSA-N
Num Hdonors
1
Drug Likeness
0.709
Num Hacceptors
2
Isomeric Smiles
CC(C)[C@@H]1CC[C@]23CO[C@H]1[C@H]2C(=C)CC[C@H]3O
Canonical Smiles
CC(C)C1CCC23COC1C2C(=C)CCC3O
Molecular Formula
C15H24O2
Num Rotatable Bonds
1