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
- 12433
- Core Entity Id
- 16990
- Source Entity Count
- 1
- Preferred Name
- Beta-herbertenol
- Name En
- Pubchem Id
- 11470027
- Smiles Canonical
- CC1=C(C=CC(=C1)C2(CCCC2(C)C)C)O
- Molecular Formula
- C15H22O
- Molecular Weight
- 218.3400
- Inchikey
- QJUBWAMLEYNCBE-HNNXBMFYSA-N
- Inchi
- InChI=1S/C15H22O/c1-11-10-12(6-7-13(11)16)15(4)9-5-8-14(15,2)3/h6-7,10,16H,5,8-9H2,1-4H3/t15-/m0/s1
- Isomeric Smiles
- CC1=C(C=CC(=C1)[C@@]2(CCCC2(C)C)C)O
- Cas Id
- Ob Score
- Mol Logp
- 4.1684
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7500
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Beta-herbertenol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Beta-herbertenol
Role
preferred
Source
HERB_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN018143
Tcmid
9425
Pub Chem
11470027
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H22O/c1-11-10-12(6-7-13(11)16)15(4)9-5-8-14(15,2)3/h6-7,10,16H,5,8-9H2,1-4H3/t15-/m0/s1
Mol Wt
218.3399999999999
Mol Log P
4.168420000000004
In Ch Ikey
QJUBWAMLEYNCBE-HNNXBMFYSA-N
Num Hdonors
1
Drug Likeness
0.75
Num Hacceptors
1
Isomeric Smiles
CC1=C(C=CC(=C1)[C@@]2(CCCC2(C)C)C)O
Canonical Smiles
CC1=C(C=CC(=C1)C2(CCCC2(C)C)C)O
Molecular Formula
C15H22O
Num Rotatable Bonds
1