Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 11336
- Core Entity Id
- 15768
- Source Entity Count
- 1
- Preferred Name
- Arglabin
- Name En
- Pubchem Id
- 5574924
- Smiles Canonical
- CC1=CCC23C1C4C(CCC2(O3)C)C(=C)C(=O)O4
- Molecular Formula
- C15H18O3
- Molecular Weight
- 246.3060
- Inchikey
- UVJYAKBJSGRTHA-CUZKYEQNSA-N
- Inchi
- InChI=1S/C15H18O3/c1-8-4-7-15-11(8)12-10(9(2)13(16)17-12)5-6-14(15,3)18-15/h4,10-12H,2,5-7H2,1,3H3/t10-,11+,12-,14-,15+/m0/s1
- Isomeric Smiles
- CC1=CC[C@@]23[C@H]1[C@@H]4[C@@H](CC[C@@]2(O3)C)C(=C)C(=O)O4
- Cas Id
- Ob Score
- Mol Logp
- 2.3719
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.2850
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Arglabin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Arglabin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Arglabin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Arglabin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
无毛蒿
Role
TCM_name
Source
TCMBank
Preferred
No
Name
WU MAO HAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Glabrous Wormwood*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(+)-arglabin
Role
alias
Source
HERB_v2
Preferred
No
Name
(+)-arglabin
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1R,3S,6S,10S,11R)-3,12-dimethyl-7-methylidene-2,9-dioxatetracyclo[9.3.0.01,3.06,10]tetradec-12-en-8-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(1R,3S,6S,10S,11R)-3,12-dimethyl-7-methylidene-2,9-dioxatetracyclo[9.3.0.01,3.06,10]tetradec-12-en-8-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3H-Oxireno(8,8a)azuleno(4,5-b)furan-8(4aH)-one, 5,6,6a,7,9a,9b-hexahydro-1,4a-dimethyl-7-methylene-
Role
alias
Source
HERB_v2
Preferred
No
Name
3H-Oxireno(8,8a)azuleno(4,5-b)furan-8(4aH)-one, 5,6,6a,7,9a,9b-hexahydro-1,4a-dimethyl-7-methylene-
Role
alias
Source
itcmdb_public
Preferred
No
Name
84692-91-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
84692-91-1
Role
alias
Source
HERB_v2
Preferred
No
Name
ARGLABINE
Role
alias
Source
HERB_v2
Preferred
No
Name
ARGLABINE
Role
alias
Source
itcmdb_public
Preferred
No
Name
Arglabin=DMA
Role
alias
Source
HERB_v2
Preferred
No
Name
Arglabin=DMA
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:73228
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:73228
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-YS8UOP7QZ1
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-YS8UOP7QZ1
Role
alias
Source
itcmdb_public
Preferred
No
Name
YS8UOP7QZ1
Role
alias
Source
itcmdb_public
Preferred
No
Name
YS8UOP7QZ1
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
无毛蒿WU MAO HAOGlabrous Wormwood*(+)-arglabin(1R,3S,6S,10S,11R)-3,12-dimethyl-7-methylidene-2,9-dioxatetracyclo[9.3.0.01,3.06,10]tetradec-12-en-8-one3H-Oxireno(8,8a)azuleno(4,5-b)furan-8(4aH)-one, 5,6,6a,7,9a,9b-hexahydro-1,4a-dimethyl-7-methylene-84692-91-1ARGLABINEArglabin=DMACHEBI:73228UNII-YS8UOP7QZ1YS8UOP7QZ1
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN016724
Npass
NPC4986
Tcmid
1675
Pub Chem
5574924
Tcmbank
TCMBANKIN042654
Etcm Ingredient
Arglabin
Itcmdb Generated
ITX-INGREDIENT-C29F8A48836F
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H18O3/c1-8-4-7-15-11(8)12-10(9(2)13(16)17-12)5-6-14(15,3)18-15/h4,10-12H,2,5-7H2,1,3H3/t10-,11+,12-,14-,15+/m0/s1
Mol Wt
246.3059999999999
Mol Log P
2.3719
In Ch Ikey
UVJYAKBJSGRTHA-CUZKYEQNSA-N
Tcm Name
无毛蒿
Tcm Name2
WU MAO HAO
Mol2 Path
/TCM_database/2007_3d_all/01675.mol2
Reference
1521, 4618
Num Hdonors
0
Tcm Name En
Glabrous Wormwood*
Drug Likeness
0.285
Num Hacceptors
3
Isomeric Smiles
CC1=CC[C@@]23[C@H]1[C@@H]4[C@@H](CC[C@@]2(O3)C)C(=C)C(=O)O4
Canonical Smiles
CC1=CCC23C1C4C(CCC2(O3)C)C(=C)C(=O)O4
Herb Alias Names
84692-91-1(+)-arglabinArglabin=DMAYS8UOP7QZ1UNII-YS8UOP7QZ1ARGLABINECHEBI:732283H-Oxireno(8,8a)azuleno(4,5-b)furan-8(4aH)-one, 5,6,6a,7,9a,9b-hexahydro-1,4a-dimethyl-7-methylene-(1R,3S,6S,10S,11R)-3,12-dimethyl-7-methylidene-2,9-dioxatetracyclo[9.3.0.01,3.06,10]tetradec-12-en-8-one
Molecular Weight
246.130
Molecular Weight
246.3 g/mol
Molecular Formula
C15H18O3
Molecular Formula
C15H18O3
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.469
Quantitative Estimate Of Drug Likeness（Qed）
0.285