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: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 35384
- Core Entity Id
- 42518
- Source Entity Count
- 1
- Preferred Name
- Torosachrysone
- Name En
- Pubchem Id
- 10446798
- Smiles Canonical
- CC1(CC2=CC3=CC(=CC(=C3C(=C2C(=O)C1)O)O)OC)O
- Molecular Formula
- C16H16O5
- Molecular Weight
- 288.2990
- Inchikey
- BFMIUBHJKFRWIV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H16O5/c1-16(20)6-9-3-8-4-10(21-2)5-11(17)13(8)15(19)14(9)12(18)7-16/h3-5,17,19-20H,6-7H2,1-2H3
- Isomeric Smiles
- CC1(CC2=CC3=CC(=CC(=C3C(=C2C(=O)C1)O)O)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 2.1395
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7480
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Torosachrysone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Torosachrysone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Torosachrysone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Torosachrysone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Torosachrysone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Torosachrysone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
钝叶决明
Role
TCM_name
Source
TCMBank
Preferred
No
Name
DUN YE JUE MING
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Obtuseleaf Senna*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
1(2H)-Anthracenone, 3,4-dihydro-3,8,9-trihydroxy-6-methoxy-3-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
1(2H)-Anthracenone, 3,4-dihydro-3,8,9-trihydroxy-6-methoxy-3-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,4-Dihydro-3,8,9-trihydroxy-3-methyl-6-methoxyanthracene-1(2h)-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3,4-Dihydro-3,8,9-trihydroxy-3-methyl-6-methoxyanthracene-1(2h)-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
61419-07-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
61419-07-6
Role
alias
Source
HERB_v2
Preferred
No
Name
93798-36-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
93798-36-8
Role
alias
Source
HERB_v2
Preferred
No
Name
DB-293853
Role
alias
Source
itcmdb_public
Preferred
No
Name
DB-293853
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID20440106
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID20440106
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL16227140
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL16227140
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
钝叶决明DUN YE JUE MINGObtuseleaf Senna*1(2H)-Anthracenone, 3,4-dihydro-3,8,9-trihydroxy-6-methoxy-3-methyl-3,4-Dihydro-3,8,9-trihydroxy-3-methyl-6-methoxyanthracene-1(2h)-one61419-07-693798-36-8DB-293853DTXSID20440106SCHEMBL16227140
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN046573
Npass
NPC88466
Tcmid
21443
Sym Map
SMIT01649
Tcm Id
453
Pub Chem
10446798
Tcmbank
TCMBANKIN044747
Etcm Ingredient
Torosachrysone
Itcmdb Generated
ITX-INGREDIENT-06D8F8EB8806
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H16O5/c1-16(20)6-9-3-8-4-10(21-2)5-11(17)13(8)15(19)14(9)12(18)7-16/h3-5,17,19-20H,6-7H2,1-2H3
Mol Wt
288.299
Mol Log P
2.1395
Version
v1,v2
In Ch Ikey
BFMIUBHJKFRWIV-UHFFFAOYSA-N
Suppress
0
Tcm Name
钝叶决明
Tcm Name2
DUN YE JUE MING
Mol2 Path
/TCM_database/2007_3d_all/21459.mol2
Reference
660, 3799
Num Hdonors
3
Tcm Name En
Obtuseleaf Senna*
Drug Likeness
0.748
Num Hacceptors
5
Isomeric Smiles
CC1(CC2=CC3=CC(=CC(=C3C(=C2C(=O)C1)O)O)OC)O
Canonical Smiles
CC1(CC2=CC3=CC(=CC(=C3C(=C2C(=O)C1)O)O)OC)O
Herb Alias Names
93798-36-81(2H)-Anthracenone, 3,4-dihydro-3,8,9-trihydroxy-6-methoxy-3-methyl-61419-07-6SCHEMBL16227140DTXSID20440106DB-2938533,4-Dihydro-3,8,9-trihydroxy-3-methyl-6-methoxyanthracene-1(2h)-one
Molecular Weight
288.100
Molecular Weight
288.29 g/mol
Molecule Formula
C16H16O5
Molecular Formula
C16H16O5
Molecular Formula
C16H16O5
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.904
Quantitative Estimate Of Drug Likeness（Qed）
0.748