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: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 17998
- Core Entity Id
- 23181
- Source Entity Count
- 1
- Preferred Name
- Elliptone
- Name En
- Pubchem Id
- 160477
- Smiles Canonical
- COC1=C(C=C2C(=C1)C3C(CO2)OC4=C(C3=O)C=CC5=C4C=CO5)OC
- Molecular Formula
- C20H16O6
- Molecular Weight
- 352.3420
- Inchikey
- KPSZGBRARBOMHQ-MSOLQXFVSA-N
- Inchi
- InChI=1S/C20H16O6/c1-22-15-7-12-14(8-16(15)23-2)25-9-17-18(12)19(21)11-3-4-13-10(5-6-24-13)20(11)26-17/h3-8,17-18H,9H2,1-2H3/t17-,18+/m1/s1
- Isomeric Smiles
- COC1=C(C=C2C(=C1)[C@H]3[C@@H](CO2)OC4=C(C3=O)C=CC5=C4C=CO5)OC
- Cas Id
- Ob Score
- Mol Logp
- 3.5699
- Num H Donors
- 0
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7020
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Elliptone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Elliptone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Elliptone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Elliptone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
鱼藤
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YU TENG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Trifoliate Jewelvine
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(-)-12,12a-Dihydro-8,9-dimethoxy-(1)benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(-)-12,12a-Dihydro-8,9-dimethoxy-(1)benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 12,12a-dihydro-8,9-dimethoxy-, (6aS,12aS)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 12,12a-dihydro-8,9-dimethoxy-, (6aS,12aS)-
Role
alias
Source
HERB_v2
Preferred
No
Name
(6aS,12aS)-12,12a-Dihydro-8,9-dimethoxy-(1)benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(6aS,12aS)-12,12a-Dihydro-8,9-dimethoxy-(1)benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
20WIT13R59
Role
alias
Source
HERB_v2
Preferred
No
Name
20WIT13R59
Role
alias
Source
itcmdb_public
Preferred
No
Name
478-10-4
Role
alias
Source
HERB_v2
Preferred
No
Name
478-10-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID70197279
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID70197279
Role
alias
Source
HERB_v2
Preferred
No
Name
Derride
Role
alias
Source
itcmdb_public
Preferred
No
Name
Derride
Role
alias
Source
HERB_v2
Preferred
No
Name
ELLIPTONE [MI]
Role
alias
Source
HERB_v2
Preferred
No
Name
ELLIPTONE [MI]
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-20WIT13R59
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-20WIT13R59
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
鱼藤YU TENGTrifoliate Jewelvine(-)-12,12a-Dihydro-8,9-dimethoxy-(1)benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 12,12a-dihydro-8,9-dimethoxy-, (6aS,12aS)-(6aS,12aS)-12,12a-Dihydro-8,9-dimethoxy-(1)benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one20WIT13R59478-10-4DTXSID70197279DerrideELLIPTONE [MI]UNII-20WIT13R59
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025016
Npass
NPC190351
Tcmid
6761
Pub Chem
160477
Tcmbank
TCMBANKIN047493
Etcm Ingredient
Elliptone
Itcmdb Generated
ITX-INGREDIENT-20DEA32CC596
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H16O6/c1-22-15-7-12-14(8-16(15)23-2)25-9-17-18(12)19(21)11-3-4-13-10(5-6-24-13)20(11)26-17/h3-8,17-18H,9H2,1-2H3/t17-,18+/m1/s1
Mol Wt
352.342
Mol Log P
3.569900000000002
In Ch Ikey
KPSZGBRARBOMHQ-MSOLQXFVSA-N
Tcm Name
鱼藤
Tcm Name2
YU TENG
Mol2 Path
/TCM_database/2007_3d_all/06762.mol2
Reference
4982
Num Hdonors
0
Tcm Name En
Trifoliate Jewelvine
Drug Likeness
0.702
Num Hacceptors
6
Isomeric Smiles
COC1=C(C=C2C(=C1)[C@H]3[C@@H](CO2)OC4=C(C3=O)C=CC5=C4C=CO5)OC
Canonical Smiles
COC1=C(C=C2C(=C1)C3C(CO2)OC4=C(C3=O)C=CC5=C4C=CO5)OC
Herb Alias Names
478-10-4DerrideUNII-20WIT13R59(6aS,12aS)-12,12a-Dihydro-8,9-dimethoxy-(1)benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one20WIT13R59ELLIPTONE [MI]DTXSID70197279(-)-12,12a-Dihydro-8,9-dimethoxy-(1)benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 12,12a-dihydro-8,9-dimethoxy-, (6aS,12aS)-
Molecular Weight
352.090
Molecular Weight
352.3 g/mol
Molecular Formula
C20H16O6
Molecular Formula
C20H16O6
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.711
Quantitative Estimate Of Drug Likeness（Qed）
0.702