Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 17074
- Core Entity Id
- 22147
- Source Entity Count
- 1
- Preferred Name
- Dihydroactindiolide
- Name En
- Pubchem Id
- 27209
- Smiles Canonical
- CC1(CCCC2(C1=CC(=O)O2)C)C
- Molecular Formula
- C11H16O2
- Molecular Weight
- 180.2470
- Inchikey
- IMKHDCBNRDRUEB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3
- Isomeric Smiles
- CC1(CCCC2(C1=CC(=O)O2)C)C
- Cas Id
- Ob Score
- Mol Logp
- 2.4384
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5350
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dihydroactindiolide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Dihydroactindiolide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Dihydroactindiolide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Dihydroactindiolide
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(2,6,6-Trimethyl-2-hydroxycyclohexylidene)acetic acid lactone
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2,6,6-Trimethyl-2-hydroxycyclohexylidene)acetic acid lactone
Role
alias
Source
HERB_v2
Preferred
No
Name
15356-74-8
Role
alias
Source
HERB_v2
Preferred
No
Name
15356-74-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
4,4,7a-Trimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one
Role
alias
Source
HERB_v2
Preferred
No
Name
4,4,7a-Trimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,6,7,7a-Tetrahydro-4,4,7a-trimethyl-2(4H)-benzofuranone
Role
alias
Source
HERB_v2
Preferred
No
Name
5,6,7,7a-Tetrahydro-4,4,7a-trimethyl-2(4H)-benzofuranone
Role
alias
Source
itcmdb_public
Preferred
No
Name
BH8469LVA9
Role
alias
Source
itcmdb_public
Preferred
No
Name
BH8469LVA9
Role
alias
Source
HERB_v2
Preferred
No
Name
DIHYDROACTINIDIOLIDE
Role
alias
Source
itcmdb_public
Preferred
No
Name
DIHYDROACTINIDIOLIDE
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD06409997
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD06409997
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2,6,6-Trimethyl-2-hydroxycyclohexylidene)acetic acid lactone15356-74-82(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-4,4,7a-Trimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one5,6,7,7a-Tetrahydro-4,4,7a-trimethyl-2(4H)-benzofuranoneBH8469LVA9DIHYDROACTINIDIOLIDEMFCD06409997
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN023801
Npass
NPC116013
Tcmid
34359
Sym Map
SMIT23571
Pub Chem
27209
Tcmbank
TCMBANKIN030756
Itcmdb Generated
ITX-INGREDIENT-C06143B65BB8
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3
Mol Wt
180.247
Smiles
CC1(CCCC2(C1=CC(=O)O2)C)C
Mol Log P
2.438400000000001
Version
v2
In Ch Ikey
IMKHDCBNRDRUEB-UHFFFAOYSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.535
Num Hacceptors
2
Isomeric Smiles
CC1(CCCC2(C1=CC(=O)O2)C)C
Canonical Smiles
CC1(CCCC2(C1=CC(=O)O2)C)C
Herb Alias Names
15356-74-8DIHYDROACTINIDIOLIDE4,4,7a-Trimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one(+/-)-dihydroactinidiolide(2,6,6-Trimethyl-2-hydroxycyclohexylidene)acetic acid lactone2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one5,6,7,7a-Tetrahydro-4,4,7a-trimethyl-2(4H)-benzofuranoneMFCD06409997BH8469LVA9
Molecular Weight
180.24 g/mol
Molecular Formula
C11H16O2
Molecular Formula
C11H16O2
Num Rotatable Bonds
0