Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15298
- Core Entity Id
- 20171
- Source Entity Count
- 1
- Preferred Name
- Cosbene
- Name En
- Pubchem Id
- 5316105
- Smiles Canonical
- CC1=CCCC(=CC2C(C2(C)C)CCC(=CCC1)C)C
- Molecular Formula
- C20H32
- Molecular Weight
- 272.4760
- Inchikey
- ZJMVJDFTNPZVMB-UNUVTCOTSA-N
- Inchi
- InChI=1S/C20H32/c1-15-8-6-10-16(2)12-13-18-19(20(18,4)5)14-17(3)11-7-9-15/h9-10,14,18-19H,6-8,11-13H2,1-5H3/b15-9+,16-10+,17-14+/t18-,19+/m0/s1
- Isomeric Smiles
- C/C/1=C\CC/C(=C/[C@@H]2[C@@H](C2(C)C)CC/C(=C/CC1)/C)/C
- Cas Id
- Ob Score
- Mol Logp
- 6.4517
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4440
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cosbene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cosbene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Cosbene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cosbene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
cosbene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(-)-casbene
Role
alias
Source
HERB_v2
Preferred
No
Name
(-)-casbene
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1S,2R,3E,7E,11E)-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-3,7,11-triene
Role
alias
Source
HERB_v2
Preferred
No
Name
(1S,2R,3E,7E,11E)-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-3,7,11-triene
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:157595
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:157595
Role
alias
Source
HERB_v2
Preferred
No
Name
蓖麻子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
BI MA ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Castorbean Seed
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-casbene(1S,2R,3E,7E,11E)-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-3,7,11-trieneCHEBI:157595蓖麻子BI MA ZICastorbean Seed
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021588
Tcmid
4124
Sym Map
SMIT14768
Pub Chem
5316105
Tcmbank
TCMBANKIN013791TCMBANKIN055512
Etcm Ingredient
Cosbene
Itcmdb Generated
ITX-INGREDIENT-23606DACC8B4ITX-INGREDIENT-782A6B9E9711
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C20H32/c1-15-8-6-10-16(2)12-13-18-19(20(18,4)5)14-17(3)11-7-9-15/h9-10,14,18-19H,6-8,11-13H2,1-5H3/b15-9+,16-10+,17-14+/t18-,19+/m0/s1
Mol Wt
272.4759999999999
Smiles
CC1=CCCC(=CC2C(C2(C)C)CCC(=CCC1)C)C
Mol Log P
6.451700000000006
Version
v1,v2
In Ch Ikey
ZJMVJDFTNPZVMB-UNUVTCOTSA-N
Suppress
0
Tcm Name
蓖麻子
Tcm Name2
BI MA ZI
Mol2 Path
/TCM_database/2003_3d_all/1671.mol2
Reference
658
Num Hdonors
0
Tcm Name En
Castorbean Seed
Drug Likeness
0.444
Num Hacceptors
0
Isomeric Smiles
C/C/1=C\CC/C(=C/[C@@H]2[C@@H](C2(C)C)CC/C(=C/CC1)/C)/C
Canonical Smiles
CC1=CCCC(=CC2C(C2(C)C)CCC(=CCC1)C)C
Herb Alias Names
(-)-casbeneCHEBI:157595(1S,2R,3E,7E,11E)-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-3,7,11-triene
Molecular Weight
272.250
Molecule Formula
C20H32
Molecular Formula
C20H32
Molecular Formula
C20H32
Molecular Formula
C20H32
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.896
Quantitative Estimate Of Drug Likeness（Qed）
0.444