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
- 22689
- Core Entity Id
- 28404
- Source Entity Count
- 1
- Preferred Name
- Isolactarorufin
- Name En
- Pubchem Id
- 11323087
- Smiles Canonical
- CC1(CC2C(C1)C(C34CC3(C2O)COC4=O)(C)O)C
- Molecular Formula
- C15H22O4
- Molecular Weight
- 266.3370
- Inchikey
- VXHVLJHZFYIFJE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H22O4/c1-12(2)4-8-9(5-12)13(3,18)15-6-14(15,10(8)16)7-19-11(15)17/h8-10,16,18H,4-7H2,1-3H3
- Isomeric Smiles
- CC1(CC2C(C1)C(C34CC3(C2O)COC4=O)(C)O)C
- Cas Id
- Ob Score
- Mol Logp
- 1.0976
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6440
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Isolactarorufin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Isolactarorufin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Isolactarorufin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Isolactarorufin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
绒白乳菇
Role
TCM_name
Source
TCMBank
Preferred
No
Name
RONG BAI RU GU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Fleecy Milk-cap
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2,8-Dihydroxy-5,5,8-trimethyl-11-oxatetracyclo[7.3.1.01,9.03,7]tridecan-10-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2,8-Dihydroxy-5,5,8-trimethyl-11-oxatetracyclo[7.3.1.01,9.03,7]tridecan-10-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
4,8-Dihydroxy-6,6,8-trimethylhexahydro-1H,3H,4H-3a,8a-methanoindeno[5,6-c]furan-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
4,8-Dihydroxy-6,6,8-trimethylhexahydro-1H,3H,4H-3a,8a-methanoindeno[5,6-c]furan-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
62024-77-5
Role
alias
Source
HERB_v2
Preferred
No
Name
62024-77-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040734638
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040734638
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID80977564
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID80977564
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lactarorufin C
Role
alias
Source
HERB_v2
Preferred
No
Name
Lactarorufin C
Role
alias
Source
itcmdb_public
Preferred
No
Name
NCGC00385871-01
Role
alias
Source
HERB_v2
Preferred
No
Name
NCGC00385871-01
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC-312034
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC312034
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
绒白乳菇RONG BAI RU GUFleecy Milk-cap2,8-Dihydroxy-5,5,8-trimethyl-11-oxatetracyclo[7.3.1.01,9.03,7]tridecan-10-one4,8-Dihydroxy-6,6,8-trimethylhexahydro-1H,3H,4H-3a,8a-methanoindeno[5,6-c]furan-1-one62024-77-5AKOS040734638DTXSID80977564Lactarorufin CNCGC00385871-01NSC-312034NSC312034
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN030837
Tcmid
11472
Pub Chem
11323087329432
Tcmbank
TCMBANKIN044450
Etcm Ingredient
Isolactarorufin
Itcmdb Generated
ITX-INGREDIENT-8BB300D3F376
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H22O4/c1-12(2)4-8-9(5-12)13(3,18)15-6-14(15,10(8)16)7-19-11(15)17/h8-10,16,18H,4-7H2,1-3H3
Mol Wt
266.337
Mol Log P
1.0976
In Ch Ikey
VXHVLJHZFYIFJE-UHFFFAOYSA-N
Tcm Name
绒白乳菇
Tcm Name2
RONG BAI RU GU
Mol2 Path
/TCM_database/2007_3d_all/11475.mol2
Reference
660
Num Hdonors
2
Tcm Name En
Fleecy Milk-cap
Drug Likeness
0.644
Num Hacceptors
4
Isomeric Smiles
CC1(CC2C(C1)C(C34CC3(C2O)COC4=O)(C)O)C
Canonical Smiles
CC1(CC2C(C1)C(C34CC3(C2O)COC4=O)(C)O)C
Herb Alias Names
62024-77-52,8-Dihydroxy-5,5,8-trimethyl-11-oxatetracyclo[7.3.1.01,9.03,7]tridecan-10-oneLactarorufin CNSC312034DTXSID80977564AKOS040734638NSC-312034NCGC00385871-014,8-Dihydroxy-6,6,8-trimethylhexahydro-1H,3H,4H-3a,8a-methanoindeno[5,6-c]furan-1-one
Molecular Weight
266.150
Molecular Weight
266.33 g/mol
Molecular Formula
C15H22O4
Molecular Formula
C15H22O4
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.073
Quantitative Estimate Of Drug Likeness（Qed）
0.644