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
- 8627
- Core Entity Id
- 12759
- Source Entity Count
- 1
- Preferred Name
- 7-trinoreudesm-4(15),8-dien-1beta-ol-7-one
- Name En
- Pubchem Id
- 11148221
- Smiles Canonical
- CC12C=CC(=O)CC1C(=C)CCC2O
- Molecular Formula
- C12H16O2
- Molecular Weight
- 192.2580
- Inchikey
- QHOKXDBQIFVQBR-QJPTWQEYSA-N
- Inchi
- InChI=1S/C12H16O2/c1-8-3-4-11(14)12(2)6-5-9(13)7-10(8)12/h5-6,10-11,14H,1,3-4,7H2,2H3/t10-,11+,12+/m0/s1
- Isomeric Smiles
- C[C@@]12C=CC(=O)C[C@H]1C(=C)CC[C@H]2O
- Cas Id
- Ob Score
- Mol Logp
- 1.8488
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5950
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7-trinoreudesm-4(15),8-dien-1beta-ol-7-one
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
7-trinoreudesm-4(15),8-dien-1beta-ol-7-one
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013494
Npass
NPC121051
Tcmid
21965
Pub Chem
11148221
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C12H16O2/c1-8-3-4-11(14)12(2)6-5-9(13)7-10(8)12/h5-6,10-11,14H,1,3-4,7H2,2H3/t10-,11+,12+/m0/s1
Mol Wt
192.258
Mol Log P
1.8488
In Ch Ikey
QHOKXDBQIFVQBR-QJPTWQEYSA-N
Num Hdonors
1
Drug Likeness
0.595
Num Hacceptors
2
Isomeric Smiles
C[C@@]12C=CC(=O)C[C@H]1C(=C)CC[C@H]2O
Canonical Smiles
CC12C=CC(=O)CC1C(=C)CCC2O
Molecular Formula
C12H16O2
Num Rotatable Bonds
0