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: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 21833
- Core Entity Id
- 27454
- Source Entity Count
- 1
- Preferred Name
- Hymenolin
- Name En
- Pubchem Id
- 88590
- Smiles Canonical
- CC1CCC2C(C(=O)OC2C3(C1(C=CC3=O)O)C)C
- Molecular Formula
- C15H20O4
- Molecular Weight
- 264.3210
- Inchikey
- OYBKYXUMZIXQDT-JWXRIFBJSA-N
- Inchi
- InChI=1S/C15H20O4/c1-8-4-5-10-9(2)13(17)19-12(10)14(3)11(16)6-7-15(8,14)18/h6-10,12,18H,4-5H2,1-3H3/t8-,9+,10-,12+,14-,15+/m0/s1
- Isomeric Smiles
- C[C@H]1CC[C@H]2[C@H](C(=O)O[C@H]2[C@]3([C@]1(C=CC3=O)O)C)C
- Cas Id
- Ob Score
- Mol Logp
- 1.4703
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6730
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Hymenolin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Hymenolin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Hymenolin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
hymenolin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
10alphaH-Ambros-2-en-12-oic acid, 1,6beta-dihydroxy-4-oxo-,gamma-lactone
Role
alias
Source
HERB_v2
Preferred
No
Name
10alphaH-Ambros-2-en-12-oic acid, 1,6beta-dihydroxy-4-oxo-,gamma-lactone
Role
alias
Source
itcmdb_public
Preferred
No
Name
20555-05-9
Role
alias
Source
HERB_v2
Preferred
No
Name
20555-05-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
6a-hydroxy-3,6,9a-trimethyl-3,3a,4,5,6,6a,9a,9b-octahydroazuleno[4,5-b]furan-2,9-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
6a-hydroxy-3,6,9a-trimethyl-3,3a,4,5,6,6a,9a,9b-octahydroazuleno[4,5-b]furan-2,9-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
Azuleno(4,5-b)furan-2,9-dione, 3,3a,4,5,6,6a,9a,9b-octahydro-6a-hydroxy-3,6,9a-trimethyl-, (3R,3aS,6S,6aS,9aS,9bR)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Azuleno(4,5-b)furan-2,9-dione, 3,3a,4,5,6,6a,9a,9b-octahydro-6a-hydroxy-3,6,9a-trimethyl-, (3R,3aS,6S,6aS,9aS,9bR)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Azuleno(4,5-b)furan-2,9-dione, 3,3a,4,5,6,6a,9a,9b-octahydro-6a-hydroxy-3,6,9a-trimethyl-, (3R-(3alpha,3abeta,6alpha,6abeta,9aalpha,9bbeta))-
Role
alias
Source
HERB_v2
Preferred
No
Name
Azuleno(4,5-b)furan-2,9-dione, 3,3a,4,5,6,6a,9a,9b-octahydro-6a-hydroxy-3,6,9a-trimethyl-, (3R-(3alpha,3abeta,6alpha,6abeta,9aalpha,9bbeta))-
Role
alias
Source
itcmdb_public
Preferred
No
Name
C09481
Role
alias
Source
HERB_v2
Preferred
No
Name
C09481
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL519097
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL519097
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID10942740
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID10942740
Role
alias
Source
HERB_v2
Preferred
No
Name
Dihydroparthenin
Role
alias
Source
HERB_v2
Preferred
No
Name
Dihydroparthenin
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
10alphaH-Ambros-2-en-12-oic acid, 1,6beta-dihydroxy-4-oxo-,gamma-lactone20555-05-96a-hydroxy-3,6,9a-trimethyl-3,3a,4,5,6,6a,9a,9b-octahydroazuleno[4,5-b]furan-2,9-dioneAzuleno(4,5-b)furan-2,9-dione, 3,3a,4,5,6,6a,9a,9b-octahydro-6a-hydroxy-3,6,9a-trimethyl-, (3R,3aS,6S,6aS,9aS,9bR)-Azuleno(4,5-b)furan-2,9-dione, 3,3a,4,5,6,6a,9a,9b-octahydro-6a-hydroxy-3,6,9a-trimethyl-, (3R-(3alpha,3abeta,6alpha,6abeta,9aalpha,9bbeta))-C09481CHEMBL519097DTXSID10942740Dihydroparthenin
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN029783
Tcmid
10842
Pub Chem
88590
Tcmbank
TCMBANKIN029271
Etcm Ingredient
Hymenolin
Itcmdb Generated
ITX-INGREDIENT-A93CAAC1DA71
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H20O4/c1-8-4-5-10-9(2)13(17)19-12(10)14(3)11(16)6-7-15(8,14)18/h6-10,12,18H,4-5H2,1-3H3/t8-,9+,10-,12+,14-,15+/m0/s1
Mol Wt
264.321
Smiles
CC1CCC2C(C(=O)OC2C3(C1(C=CC3=O)O)C)C
Mol Log P
1.4703
In Ch Ikey
OYBKYXUMZIXQDT-JWXRIFBJSA-N
Num Hdonors
1
Drug Likeness
0.673
Num Hacceptors
4
Isomeric Smiles
C[C@H]1CC[C@H]2[C@H](C(=O)O[C@H]2[C@]3([C@]1(C=CC3=O)O)C)C
Canonical Smiles
CC1CCC2C(C(=O)OC2C3(C1(C=CC3=O)O)C)C
Herb Alias Names
20555-05-9DihydropartheninCHEMBL519097C09481DTXSID1094274010alphaH-Ambros-2-en-12-oic acid, 1,6beta-dihydroxy-4-oxo-,gamma-lactone6a-hydroxy-3,6,9a-trimethyl-3,3a,4,5,6,6a,9a,9b-octahydroazuleno[4,5-b]furan-2,9-dioneAzuleno(4,5-b)furan-2,9-dione, 3,3a,4,5,6,6a,9a,9b-octahydro-6a-hydroxy-3,6,9a-trimethyl-, (3R,3aS,6S,6aS,9aS,9bR)-Azuleno(4,5-b)furan-2,9-dione, 3,3a,4,5,6,6a,9a,9b-octahydro-6a-hydroxy-3,6,9a-trimethyl-, (3R-(3alpha,3abeta,6alpha,6abeta,9aalpha,9bbeta))-
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)
0.908
Quantitative Estimate Of Drug Likeness（Qed）
0.673