Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 12Links: 24
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 34157
- Core Entity Id
- 41162
- Source Entity Count
- 1
- Preferred Name
- Suchilactone
- Name En
- Pubchem Id
- 132350840
- Smiles Canonical
- COC1=C(C=C(C=C1)CC2COC(=O)C2=CC3=CC4=C(C=C3)OCO4)OC
- Molecular Formula
- C21H20O6
- Molecular Weight
- 368.3850
- Inchikey
- GVNUFBXIXQNOCF-FUXXUDPSSA-N
- Inchi
- InChI=1S/C21H20O6/c1-23-17-5-3-13(9-19(17)24-2)7-15-11-25-21(22)16(15)8-14-4-6-18-20(10-14)27-12-26-18/h3-6,8-10,15H,7,11-12H2,1-2H3/b16-8+/t15-/m1/s1
- Isomeric Smiles
- COC1=C(C=C(C=C1)C[C@@H]\2COC(=O)/C2=C/C3=CC4=C(C=C3)OCO4)OC
- Cas Id
- 50816-74-5
- Ob Score
- 57.5188
- Mol Logp
- 3.2316
- Num H Donors
- 0
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.5960
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Suchilactone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Suchilactone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Suchilactone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Suchilactone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
suchilactone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(S,E)-3-(Benzo[d][1,3]dioxol-5-ylmethylene)-4-(3,4-dimethoxybenzyl)dihydrofuran-2(3H)-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(S,E)-3-(Benzo[d][1,3]dioxol-5-ylmethylene)-4-(3,4-dimethoxybenzyl)dihydrofuran-2(3H)-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
50816-74-5
Role
alias
Source
HERB_v2
Preferred
No
Name
50816-74-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040763553
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040763553
Role
alias
Source
HERB_v2
Preferred
No
Name
CS-0255479
Role
alias
Source
HERB_v2
Preferred
No
Name
CS-0255479
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N10079
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N10079
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL15624884
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(S,E)-3-(Benzo[d][1,3]dioxol-5-ylmethylene)-4-(3,4-dimethoxybenzyl)dihydrofuran-2(3H)-one50816-74-5AKOS040763553CS-0255479HY-N10079SCHEMBL15624884
Cross References
Trusted external identifiers retained for this final record.
Cas
50816-74-5
Herb
HBIN045071
Tcmid
20429
Tcmsp
MOL005384
Sym Map
SMIT00603
Pub Chem
132350840163193012
Tcmbank
TCMBANKIN021214
Etcm Ingredient
Suchilactone
Itcmdb Generated
ITX-INGREDIENT-223EC3FE4D0A
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C21H20O6/c1-23-17-5-3-13(9-19(17)24-2)7-15-11-25-21(22)16(15)8-14-4-6-18-20(10-14)27-12-26-18/h3-6,8-10,15H,7,11-12H2,1-2H3/b16-8+/t15-/m1/s1
Mol Wt
368.3850000000001
Cas Id
50816-74-5
Smiles
COC1=C(C=C(C=C1)CC2COC(=O)C2=CC3=CC4=C(C=C3)OCO4)OC
Mol Log P
3.231600000000002
Version
v1,v2
In Ch Ikey
GVNUFBXIXQNOCF-FUXXUDPSSA-N
Ob Score
57.51882457.5188242557.519
Suppress
0
Num Hdonors
0
Drug Likeness
0.596
Num Hacceptors
6
Isomeric Smiles
COC1=C(C=C(C=C1)C[C@@H]\2COC(=O)/C2=C/C3=CC4=C(C=C3)OCO4)OC
Molecule Weight
368.41
Canonical Smiles
COC1=C(C=C(C=C1)CC2COC(=O)C2=CC3=CC4=C(C=C3)OCO4)OC
Herb Alias Names
50816-74-5HY-N10079AKOS040763553CS-0255479(S,E)-3-(Benzo[d][1,3]dioxol-5-ylmethylene)-4-(3,4-dimethoxybenzyl)dihydrofuran-2(3H)-one
Molecular Weight
368.130
Molecular Weight
368.38
Molecule Formula
C21H20O6
Molecular Formula
C21H20O6
Molecular Formula
C21H20O6
Molecular Formula
C21H20O6
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.861
Quantitative Estimate Of Drug Likeness（Qed）
0.596