Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 30923
- Core Entity Id
- 37555
- Source Entity Count
- 1
- Preferred Name
- Psilostachyin c
- Name En
- Pubchem Id
- 97213
- Smiles Canonical
- CC1CCC2C(C3(C1CCC(=O)O3)C)OC(=O)C2=C
- Molecular Formula
- C15H20O4
- Molecular Weight
- 264.3210
- Inchikey
- FZYIWDQVFMUXPW-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H20O4/c1-8-4-5-10-9(2)14(17)18-13(10)15(3)11(8)6-7-12(16)19-15/h8,10-11,13H,2,4-7H2,1,3H3
- Isomeric Smiles
- CC1CCC2C(C3(C1CCC(=O)O3)C)OC(=O)C2=C
- Cas Id
- Ob Score
- Mol Logp
- 2.2260
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4970
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Psilostachyin C
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Psilostachyin c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Psilostachyin c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
psilostachyin c
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(3aS,6abeta,10bbeta)-Dodecahydro-6alpha,10aalpha-dimethyl-3-methylenefuro[3',2'
Role
alias
Source
HERB_v2
Preferred
No
Name
(3aS,6abeta,10bbeta)-Dodecahydro-6alpha,10aalpha-dimethyl-3-methylenefuro[3',2'
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,9-dimethyl-5-methylidene-3,14-dioxatricyclo[8.4.0.02,6]tetradecane-4,13-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
1,9-dimethyl-5-methylidene-3,14-dioxatricyclo[8.4.0.02,6]tetradecane-4,13-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
6466-67-7
Role
alias
Source
HERB_v2
Preferred
No
Name
6466-67-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
Decahydro-6,10a-dimethyl-3-methylenefuro(3',2':6,7)cyclohepta(1,2-b)pyran-2,9-dione (3aS-(3aalpha,6beta,6aalpha,10abeta,10balpha))-
Role
alias
Source
HERB_v2
Preferred
No
Name
Decahydro-6,10a-dimethyl-3-methylenefuro(3',2':6,7)cyclohepta(1,2-b)pyran-2,9-dione (3aS-(3aalpha,6beta,6aalpha,10abeta,10balpha))-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Furo(3',2':6,7)cyclohepta(1,2-b)pyran-2,9-dione, decahydro-6,10a-dimethyl-3-methylene-, (3aS-(3aalpha,6beta,6aalpha,10abeta,10balpha))-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Furo(3',2':6,7)cyclohepta(1,2-b)pyran-2,9-dione, decahydro-6,10a-dimethyl-3-methylene-, (3aS-(3aalpha,6beta,6aalpha,10abeta,10balpha))-
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 106392
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 106392
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC247515
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC247515
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(3aS,6abeta,10bbeta)-Dodecahydro-6alpha,10aalpha-dimethyl-3-methylenefuro[3',2'1,9-dimethyl-5-methylidene-3,14-dioxatricyclo[8.4.0.02,6]tetradecane-4,13-dione6466-67-7Decahydro-6,10a-dimethyl-3-methylenefuro(3',2':6,7)cyclohepta(1,2-b)pyran-2,9-dione (3aS-(3aalpha,6beta,6aalpha,10abeta,10balpha))-Furo(3',2':6,7)cyclohepta(1,2-b)pyran-2,9-dione, decahydro-6,10a-dimethyl-3-methylene-, (3aS-(3aalpha,6beta,6aalpha,10abeta,10balpha))-NSC 106392NSC247515
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN041105
Tcmid
18069
Pub Chem
97213
Tcmbank
TCMBANKIN022783
Etcm Ingredient
Psilostachyin C
Itcmdb Generated
ITX-INGREDIENT-996CB5460491
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H20O4/c1-8-4-5-10-9(2)14(17)18-13(10)15(3)11(8)6-7-12(16)19-15/h8,10-11,13H,2,4-7H2,1,3H3
Mol Wt
264.321
Smiles
CC1CCC2C(C3(C1CCC(=O)O3)C)OC(=O)C2=C
Mol Log P
2.226
In Ch Ikey
FZYIWDQVFMUXPW-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.497
Num Hacceptors
4
Isomeric Smiles
CC1CCC2C(C3(C1CCC(=O)O3)C)OC(=O)C2=C
Canonical Smiles
CC1CCC2C(C3(C1CCC(=O)O3)C)OC(=O)C2=C
Herb Alias Names
6466-67-7NSC 106392NSC106392NSC2475151,9-dimethyl-5-methylidene-3,14-dioxatricyclo[8.4.0.02,6]tetradecane-4,13-dioneDecahydro-6,10a-dimethyl-3-methylenefuro(3',2':6,7)cyclohepta(1,2-b)pyran-2,9-dione (3aS-(3aalpha,6beta,6aalpha,10abeta,10balpha))-Furo(3',2':6,7)cyclohepta(1,2-b)pyran-2,9-dione, decahydro-6,10a-dimethyl-3-methylene-, (3aS-(3aalpha,6beta,6aalpha,10abeta,10balpha))-(3aS,6abeta,10bbeta)-Dodecahydro-6alpha,10aalpha-dimethyl-3-methylenefuro[3',2'1,9-dimethyl-5-methylidene-3,14-dioxatricyclo(8.4.0.02,6)tetradecane-4,13-dione
Molecular Weight
264.140
Molecular Weight
264.32 g/mol
Molecular Formula
C15H20O4
Molecular Formula
C15H20O4
Molecular Formula
C15H20O4
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.511
Quantitative Estimate Of Drug Likeness（Qed）
0.497