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
- 9597
- Core Entity Id
- 13835
- Source Entity Count
- 1
- Preferred Name
- Actinidol
- Name En
- Actinidol
- Pubchem Id
- 91753284
- Smiles Canonical
- CC(C1C=C2C(O1)C=CCC2(C)C)O
- Molecular Formula
- C12H18O2
- Molecular Weight
- 194.2740
- Inchikey
- SUABBKPMOURIHF-GUJYYOPSSA-N
- Inchi
- InChI=1S/C12H18O2/c1-8(13)11-7-9-10(14-11)5-4-6-12(9,2)3/h4-5,7-8,10-11,13H,6H2,1-3H3/t8?,10-,11-/m1/s1
- Isomeric Smiles
- CC([C@H]1C=C2[C@H](O1)C=CCC2(C)C)O
- Cas Id
- Ob Score
- Mol Logp
- 2.0471
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6470
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Actinidol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Actinidol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Actinidol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
actinidol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
SUABBKPMOURIHF-GUJYYOPSSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
SUABBKPMOURIHF-GUJYYOPSSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
SUABBKPMOURIHF-GUJYYOPSSA-N
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN014640
Tcmid
584
Pub Chem
91753284
Tcmbank
TCMBANKIN049851
Etcm Ingredient
Actinidol
Itcmdb Generated
ITX-INGREDIENT-CFC9CD10E9C1
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C12H18O2/c1-8(13)11-7-9-10(14-11)5-4-6-12(9,2)3/h4-5,7-8,10-11,13H,6H2,1-3H3/t8?,10-,11-/m1/s1
Mol Wt
194.274
Smiles
CC(C1C=C2C(O1)C=CCC2(C)C)O
Mol Log P
2.0471
In Ch Ikey
SUABBKPMOURIHF-GUJYYOPSSA-N
Mol2 Path
/TCM_database/2007_3d_all/00584.mol2
Reference
660
Num Hdonors
1
Drug Likeness
0.647
Num Hacceptors
2
Isomeric Smiles
CC([C@H]1C=C2[C@H](O1)C=CCC2(C)C)O
Canonical Smiles
CC(C1C=C2C(O1)C=CCC2(C)C)O
Herb Alias Names
SUABBKPMOURIHF-GUJYYOPSSA-N
Molecular Weight
208.150
Molecular Weight
194.27 g/mol
Molecular Formula
C13H20O2
Molecular Formula
C12H18O2
Molecular Formula
C12H18O2
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.042
Quantitative Estimate Of Drug Likeness（Qed）
0.671