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
- 38389
- Core Entity Id
- 64330
- Source Entity Count
- 1
- Preferred Name
- 13-hydroxy-lactara-2,6,8-trien-5-oicacid gamma-lactone
- Name En
- Pubchem Id
- 10977292
- Smiles Canonical
- CC1=C2CC(CC2=CC3=C(C1)C(=O)OC3)(C)C
- Molecular Formula
- C15H18O2
- Molecular Weight
- 230.3070
- Inchikey
- OPHDICOAXLPQSX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H18O2/c1-9-4-12-11(8-17-14(12)16)5-10-6-15(2,3)7-13(9)10/h5H,4,6-8H2,1-3H3
- Isomeric Smiles
- CC1=C2CC(CC2=CC3=C(C1)C(=O)OC3)(C)C
- Cas Id
- Ob Score
- Mol Logp
- 3.3064
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5970
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
13-hydroxy-lactara-2,6,8-trien-5-oicacid gamma-lactone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
13-hydroxy-lactara-2,6,8-trien-5-oicacid gamma-lactone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,3-8,9-Bisanhydrolactarorufin
Role
alias
Source
HERB_v2
Preferred
No
Name
2,3-8,9-Bisanhydrolactarorufin
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno(5,6-c)furan-3-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno(5,6-c)furan-3-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]uran-3-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]uran-3-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:222749
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:222749
Role
alias
Source
itcmdb_public
Preferred
No
Name
13-Hydroxy-lactara-2,6,8-trien-5-oic acid γ-lactone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
13-hydroxy-lactara-2,6,8-trien-5-oicacid γ-lactone
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
2,3-8,9-Bisanhydrolactarorufin5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno(5,6-c)furan-3-one5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]uran-3-oneCHEBI:22274913-Hydroxy-lactara-2,6,8-trien-5-oic acid γ-lactone13-hydroxy-lactara-2,6,8-trien-5-oicacid γ-lactone
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN001250
Tcmid
10308
Pub Chem
10977292
Tcmbank
TCMBANKIN014253TCMBANKIN020962
Etcm Ingredient
13-Hydroxy-lactara-2,6,8-trien-5-oic acid γ-lactone
Itcmdb Generated
ITX-INGREDIENT-4762E8C72605ITX-INGREDIENT-ABDA8509B073
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H18O2/c1-9-4-12-11(8-17-14(12)16)5-10-6-15(2,3)7-13(9)10/h5H,4,6-8H2,1-3H3
Mol Wt
230.3069999999999
Smiles
CC1=C2CC(CC2=CC3=C(C1)C(=O)OC3)(C)C
Mol Log P
3.306400000000002
In Ch Ikey
OPHDICOAXLPQSX-UHFFFAOYSA-N
Tcm Name
绒白乳菇
Tcm Name2
RONG BAI RU GU
Mol2 Path
/TCM_database/2007_3d_all/10309.mol2
Reference
660
Num Hdonors
0
Tcm Name En
Fleecy Milk-cap
Drug Likeness
0.597
Num Hacceptors
2
Isomeric Smiles
CC1=C2CC(CC2=CC3=C(C1)C(=O)OC3)(C)C
Canonical Smiles
CC1=C2CC(CC2=CC3=C(C1)C(=O)OC3)(C)C
Herb Alias Names
2,3-8,9-Bisanhydrolactarorufin5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno(5,6-c)furan-3-one5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]furan-3-oneCHEBI:2227495,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]uran-3-one
Molecular Weight
230.130
Molecular Formula
C15H18O2
Molecular Formula
C15H18O2
Molecular Formula
C15H18O2
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.053
Quantitative Estimate Of Drug Likeness（Qed）
0.736