Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 3Ingredient: 1Target: 12Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15050
- Core Entity Id
- 19893
- Source Entity Count
- 1
- Preferred Name
- Commiferin
- Name En
- Pubchem Id
- 91864439
- Smiles Canonical
- CC1=C2CC3C(=C)CC(CC3(CC2OC1=O)C)O
- Molecular Formula
- C15H20O3
- Molecular Weight
- 248.3220
- Inchikey
- VPOHGVWBUPKXAL-BHBYKZDGSA-N
- Inchi
- InChI=1S/C15H20O3/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h10,12-13,16H,1,4-7H2,2-3H3/t10?,12?,13?,15-/m1/s1
- Isomeric Smiles
- CC1=C2CC3C(=C)CC(C[C@@]3(CC2OC1=O)C)O
- Cas Id
- 39007-92-6
- Ob Score
- 43.7180
- Mol Logp
- 2.3555
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5290
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Commiferin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Commiferin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Commiferin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
commiferin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
commiferin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
39007-92-6
Role
alias
Source
HERB_v2
Preferred
No
Name
39007-92-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
41PQ3F05Y5
Role
alias
Source
itcmdb_public
Preferred
No
Name
41PQ3F05Y5
Role
alias
Source
HERB_v2
Preferred
No
Name
7-hydroxy-3,8a-dimethyl-5-methylidene-4a,6,7,8,9,9a-hexahydro-4H-benzo[f][1]benzofuran-2-one
Role
alias
Source
TCMBank
Preferred
No
Name
AC1NSTS4
Role
alias
Source
TCMBank
Preferred
No
Name
Naphtho(2,3-b)furan-2(4H)-one, 4a,5,6,7,8,8a,9,9a-octahydro-7-hydroxy-3,8a-dimethyl-5-methylene-
Role
alias
Source
HERB_v2
Preferred
No
Name
Naphtho(2,3-b)furan-2(4H)-one, 4a,5,6,7,8,8a,9,9a-octahydro-7-hydroxy-3,8a-dimethyl-5-methylene-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27258457
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27258457
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-41PQ3F05Y5
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-41PQ3F05Y5
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
39007-92-641PQ3F05Y57-hydroxy-3,8a-dimethyl-5-methylidene-4a,6,7,8,9,9a-hexahydro-4H-benzo[f][1]benzofuran-2-oneAC1NSTS4Naphtho(2,3-b)furan-2(4H)-one, 4a,5,6,7,8,8a,9,9a-octahydro-7-hydroxy-3,8a-dimethyl-5-methylene-Q27258457UNII-41PQ3F05Y5
Cross References
Trusted external identifiers retained for this final record.
Cas
39007-92-6
Herb
HBIN021307
Tcmid
3943
Tcmsp
MOL001162MOL001199
Sym Map
SMIT00443
Pub Chem
91864439
Tcmbank
TCMBANKIN036487
Etcm Ingredient
commiferin
Itcmdb Generated
ITX-INGREDIENT-C243C5DD52C1
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H20O3/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h10,12-13,16H,1,4-7H2,2-3H3/t10?,12?,13?,15-/m1/s1
Mol Wt
248.3219999999999
Cas Id
39007-92-6
Smiles
CC1=C2CC3C(=C)CC(CC3(CC2OC1=O)C)O
Mol Log P
2.355500000000001
Version
v1,v2
In Ch Ikey
VPOHGVWBUPKXAL-BHBYKZDGSA-N
Ob Score
43.71797143.7179712443.718
Suppress
0
Num Hdonors
1
Drug Likeness
0.529
Num Hacceptors
3
Isomeric Smiles
CC1=C2CC3C(=C)CC(C[C@@]3(CC2OC1=O)C)O
Molecule Weight
248.35
Canonical Smiles
CC1=C2CC3C(=C)CC(CC3(CC2OC1=O)C)O
Herb Alias Names
41PQ3F05Y5UNII-41PQ3F05Y539007-92-6Naphtho(2,3-b)furan-2(4H)-one, 4a,5,6,7,8,8a,9,9a-octahydro-7-hydroxy-3,8a-dimethyl-5-methylene-Q27258457
Molecular Weight
248.140
Molecular Weight
248.32
Molecule Formula
C15H20O3
Molecular Formula
C15H20O3
Molecular Formula
C15H20O3
Molecular Formula
C15H20O3
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.945
Quantitative Estimate Of Drug Likeness（Qed）
0.694