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
- 8211
- Core Entity Id
- 12300
- Source Entity Count
- 1
- Preferred Name
- 7alpha-hydroxyneoacolamone
- Name En
- Pubchem Id
- 91750135
- Smiles Canonical
- CC1=C2C(=O)C(CCC2(CCC1)C)(C(C)C)O
- Molecular Formula
- C15H24O2
- Molecular Weight
- 236.3550
- Inchikey
- ZANHXCFRKGGJIZ-HUUCEWRRSA-N
- Inchi
- InChI=1S/C15H24O2/c1-10(2)15(17)9-8-14(4)7-5-6-11(3)12(14)13(15)16/h10,17H,5-9H2,1-4H3/t14-,15-/m1/s1
- Isomeric Smiles
- CC1=C2C(=O)[C@@](CC[C@]2(CCC1)C)(C(C)C)O
- Cas Id
- Ob Score
- Mol Logp
- 3.2431
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7590
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7alpha-hydroxyneoacolamone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
7alpha-hydroxyneoacolamone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(-)-(7S,10S)-7-hydroxyeudesm-4-en-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(-)-(7S,10S)-7-hydroxyeudesm-4-en-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
ZANHXCFRKGGJIZ-HUUCEWRRSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
ZANHXCFRKGGJIZ-HUUCEWRRSA-N
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-(7S,10S)-7-hydroxyeudesm-4-en-6-oneZANHXCFRKGGJIZ-HUUCEWRRSA-N
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013042
Tcmid
10536
Pub Chem
91750135
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H24O2/c1-10(2)15(17)9-8-14(4)7-5-6-11(3)12(14)13(15)16/h10,17H,5-9H2,1-4H3/t14-,15-/m1/s1
Mol Wt
236.355
Mol Log P
3.243100000000002
In Ch Ikey
ZANHXCFRKGGJIZ-HUUCEWRRSA-N
Num Hdonors
1
Drug Likeness
0.759
Num Hacceptors
2
Isomeric Smiles
CC1=C2C(=O)[C@@](CC[C@]2(CCC1)C)(C(C)C)O
Canonical Smiles
CC1=C2C(=O)C(CCC2(CCC1)C)(C(C)C)O
Herb Alias Names
ZANHXCFRKGGJIZ-HUUCEWRRSA-N(-)-(7S,10S)-7-hydroxyeudesm-4-en-6-one
Molecular Formula
C15H24O2
Num Rotatable Bonds
1