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
- 9613
- Core Entity Id
- 13853
- Source Entity Count
- 1
- Preferred Name
- Actinidiolide
- Name En
- Pubchem Id
- 11062957
- Smiles Canonical
- CC1(CC=CC2(C1=CC(=O)O2)C)C
- Molecular Formula
- C11H14O2
- Molecular Weight
- 178.2310
- Inchikey
- VGQSMHFBCKKQHB-LLVKDONJSA-N
- Inchi
- InChI=1S/C11H14O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h4,6-7H,5H2,1-3H3/t11-/m1/s1
- Isomeric Smiles
- C[C@@]12C=CCC(C1=CC(=O)O2)(C)C
- Cas Id
- Ob Score
- Mol Logp
- 2.2144
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4200
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Actinidiolide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Actinidiolide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Actinidiolide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Actinidiolide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
木天蓼
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MU TIAN LIAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Silvervine Actinidia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(-)-Actinidiolide
Role
alias
Source
itcmdb_public
Preferred
No
Name
(-)-Actinidiolide
Role
alias
Source
HERB_v2
Preferred
No
Name
(7aR)-4,4,7a-Trimethyl-2,4,5,7a-tetrahydro-1-benzofuran-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(7aR)-4,4,7a-Trimethyl-2,4,5,7a-tetrahydro-1-benzofuran-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(7aR)-5,7a-Dihydro-4,4,7a-trimethyl-2(4H)-benzofuranone
Role
alias
Source
HERB_v2
Preferred
No
Name
(7aR)-5,7a-Dihydro-4,4,7a-trimethyl-2(4H)-benzofuranone
Role
alias
Source
itcmdb_public
Preferred
No
Name
(R)-Actinidiolide
Role
alias
Source
itcmdb_public
Preferred
No
Name
(R)-Actinidiolide
Role
alias
Source
HERB_v2
Preferred
No
Name
17063-17-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
17063-17-1
Role
alias
Source
HERB_v2
Preferred
No
Name
2(4H)-Benzofuranone, 5,7a-dihydro-4,4,7a-trimethyl-, (R)-
Role
alias
Source
HERB_v2
Preferred
No
Name
2(4H)-Benzofuranone, 5,7a-dihydro-4,4,7a-trimethyl-, (R)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-VDZ7K4U8Y2
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-VDZ7K4U8Y2
Role
alias
Source
HERB_v2
Preferred
No
Name
VDZ7K4U8Y2
Role
alias
Source
HERB_v2
Preferred
No
Name
VDZ7K4U8Y2
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
木天蓼MU TIAN LIAOSilvervine Actinidia(-)-Actinidiolide(7aR)-4,4,7a-Trimethyl-2,4,5,7a-tetrahydro-1-benzofuran-2-one(7aR)-5,7a-Dihydro-4,4,7a-trimethyl-2(4H)-benzofuranone(R)-Actinidiolide17063-17-12(4H)-Benzofuranone, 5,7a-dihydro-4,4,7a-trimethyl-, (R)-UNII-VDZ7K4U8Y2VDZ7K4U8Y2
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN014639
Tcmid
583
Pub Chem
1106295711084442
Tcmbank
TCMBANKIN047194
Etcm Ingredient
Actinidiolide
Itcmdb Generated
ITX-INGREDIENT-2718ABFA13F2
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C11H14O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h4,6-7H,5H2,1-3H3/t11-/m1/s1
Mol Wt
178.231
Mol Log P
2.2144
In Ch Ikey
VGQSMHFBCKKQHB-LLVKDONJSA-N
Tcm Name
木天蓼
Tcm Name2
MU TIAN LIAO
Mol2 Path
/TCM_database/2007_3d_all/00583.mol2
Reference
660
Num Hdonors
0
Tcm Name En
Silvervine Actinidia
Drug Likeness
0.42
Num Hacceptors
2
Isomeric Smiles
C[C@@]12C=CCC(C1=CC(=O)O2)(C)C
Canonical Smiles
CC1(CC=CC2(C1=CC(=O)O2)C)C
Herb Alias Names
(-)-Actinidiolide(R)-ActinidiolideActinidiolide, (-)-VDZ7K4U8Y217063-17-1UNII-VDZ7K4U8Y2(7aR)-5,7a-Dihydro-4,4,7a-trimethyl-2(4H)-benzofuranone2(4H)-Benzofuranone, 5,7a-dihydro-4,4,7a-trimethyl-, (R)-(7aR)-4,4,7a-Trimethyl-2,4,5,7a-tetrahydro-1-benzofuran-2-one
Molecular Weight
178.100
Molecular Weight
178.23 g/mol
Molecular Formula
C11H14O2
Molecular Formula
C11H14O2
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.227
Quantitative Estimate Of Drug Likeness（Qed）
0.420