Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 9Ingredient: 1Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 31929
- Core Entity Id
- 38680
- Source Entity Count
- 1
- Preferred Name
- Ridentin
- Name En
- Pubchem Id
- 118701571
- Smiles Canonical
- CC1=CC2C(CCC(=C)C(CC1O)O)C(=C)C(=O)O2
- Molecular Formula
- C15H20O4
- Molecular Weight
- 264.3210
- Inchikey
- KQCHEWVHXSAJIA-RNFGUGDUSA-N
- Inchi
- InChI=1S/C15H20O4/c1-8-4-5-11-10(3)15(18)19-14(11)6-9(2)13(17)7-12(8)16/h6,11-14,16-17H,1,3-5,7H2,2H3/b9-6+/t11-,12+,13-,14+/m0/s1
- Isomeric Smiles
- C/C/1=C\[C@@H]2[C@@H](CCC(=C)[C@@H](C[C@@H]1O)O)C(=C)C(=O)O2
- Cas Id
- Ob Score
- Mol Logp
- 1.4924
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.3950
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ridentin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Ridentin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ridentin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ridentin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
ridentin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(3aS,7R,9S,10E,11aR)-3a,4,5,6,7,8,9,11a-Octahydro-7,9-dihydroxy-10-methyl-3,6-bis(methylene)cyclodeca[b]furan-2(3H)-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(3aS,7R,9S,10E,11aR)-3a,4,5,6,7,8,9,11a-Octahydro-7,9-dihydroxy-10-methyl-3,6-bis(methylene)cyclodeca[b]furan-2(3H)-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3aS,7R,9S,10E,11aR)-7,9-dihydroxy-10-methyl-3,6-dimethylidene-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(3aS,7R,9S,10E,11aR)-7,9-dihydroxy-10-methyl-3,6-dimethylidene-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3aS,7R,9S,10Z,11aR)-7,9-dihydroxy-10-methyl-3,6-dimethylidene-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-2-one
Role
alias
Source
TCMBank
Preferred
No
Name
28148-84-7
Role
alias
Source
HERB_v2
Preferred
No
Name
28148-84-7
Role
alias
Source
TCMBank
Preferred
No
Name
28148-84-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1O5VEW
Role
alias
Source
TCMBank
Preferred
No
Name
C09540
Role
alias
Source
HERB_v2
Preferred
No
Name
C09540
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:8856
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:8856
Role
alias
Source
HERB_v2
Preferred
No
Name
Cyclodeca(b)furan-2(3H)-one, 3a,4,5,6,7,8,9,11a-octahydro-7,9-dihydroxy-10-methyl-3,6-bis(methylene)-, (3aS-(3aR*,7S*,9R*,10E,11aS*))-
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID701105290
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID701105290
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27108161
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27108161
Role
alias
Source
HERB_v2
Preferred
No
Name
Ridentin
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(3aS,7R,9S,10E,11aR)-3a,4,5,6,7,8,9,11a-Octahydro-7,9-dihydroxy-10-methyl-3,6-bis(methylene)cyclodeca[b]furan-2(3H)-one(3aS,7R,9S,10E,11aR)-7,9-dihydroxy-10-methyl-3,6-dimethylidene-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-2-one(3aS,7R,9S,10Z,11aR)-7,9-dihydroxy-10-methyl-3,6-dimethylidene-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-2-one28148-84-7AC1O5VEWC09540CHEBI:8856Cyclodeca(b)furan-2(3H)-one, 3a,4,5,6,7,8,9,11a-octahydro-7,9-dihydroxy-10-methyl-3,6-bis(methylene)-, (3aS-(3aR*,7S*,9R*,10E,11aS*))-DTXSID701105290Q27108161
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN042318
Tcmid
18828
Sym Map
SMIT17483
Tcm Id
20468
Pub Chem
1187015715281497
Tcmbank
TCMBANKIN012101
Etcm Ingredient
Ridentin
Itcmdb Generated
ITX-INGREDIENT-56509F1BDB4C
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H20O4/c1-8-4-5-11-10(3)15(18)19-14(11)6-9(2)13(17)7-12(8)16/h6,11-14,16-17H,1,3-5,7H2,2H3/b9-6+/t11-,12+,13-,14+/m0/s1
Mol Wt
264.321
Smiles
CC1=CC2C(CCC(=C)C(CC1O)O)C(=C)C(=O)O2
Mol Log P
1.4924
Version
v1,v2
In Ch Ikey
KQCHEWVHXSAJIA-RNFGUGDUSA-N
Suppress
0
Num Hdonors
2
Drug Likeness
0.395
Num Hacceptors
4
Isomeric Smiles
C/C/1=C\[C@@H]2[C@@H](CCC(=C)[C@@H](C[C@@H]1O)O)C(=C)C(=O)O2
Canonical Smiles
CC1=CC2C(CCC(=C)C(CC1O)O)C(=C)C(=O)O2
Herb Alias Names
(3aS,7R,9S,10E,11aR)-7,9-dihydroxy-10-methyl-3,6-dimethylidene-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-2-one28148-84-7C09540CHEBI:8856DTXSID701105290Q27108161(3aS,7R,9S,10E,11aR)-3a,4,5,6,7,8,9,11a-Octahydro-7,9-dihydroxy-10-methyl-3,6-bis(methylene)cyclodeca[b]furan-2(3H)-one
Molecular Weight
264.140
Molecular Weight
264.32 g/mol
Molecular Formula
C15H20O4
Molecular Formula
C15H20O4
Molecular Formula
C15H20O4
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.894
Quantitative Estimate Of Drug Likeness（Qed）
0.395