Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 21933
- Core Entity Id
- 27564
- Source Entity Count
- 1
- Preferred Name
- Hysterone d
- Name En
- Pubchem Id
- 12115383
- Smiles Canonical
- CC1C2CCC(C3(CCC(C3(C2OC1=O)C)O)O)(C)O
- Molecular Formula
- C15H24O5
- Molecular Weight
- 284.3520
- Inchikey
- CMANPNFFEWEOCA-IBVAQNNBSA-N
- Inchi
- InChI=1S/C15H24O5/c1-8-9-4-6-13(2,18)15(19)7-5-10(16)14(15,3)11(9)20-12(8)17/h8-11,16,18-19H,4-7H2,1-3H3/t8-,9-,10-,11+,13+,14-,15+/m0/s1
- Isomeric Smiles
- C[C@H]1[C@@H]2CC[C@@]([C@@]3(CC[C@@H]([C@]3([C@@H]2OC1=O)C)O)O)(C)O
- Cas Id
- Ob Score
- Mol Logp
- 0.6010
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5670
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Hysterone D
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Hysterone D
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Hysterone d
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Hysterone d
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
银胶菊
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YIN JIAO JU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Common Pathenium
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(3R,6S,6aR,9S,9aS)-6,6a,9-Trihydroxy-3,6,9a- trimethylperhydroazuleno[1,2-b]furan-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3R,6S,6aR,9S,9aS)-6,6a,9-Trihydroxy-3,6,9a- trimethylperhydroazuleno[1,2-b]furan-2-one
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
银胶菊YIN JIAO JUCommon Pathenium(3R,6S,6aR,9S,9aS)-6,6a,9-Trihydroxy-3,6,9a- trimethylperhydroazuleno[1,2-b]furan-2-one
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN029890
Npass
NPC222220
Tcmid
10918
Pub Chem
12115383
Tcmbank
TCMBANKIN046631
Etcm Ingredient
Hysterone D
Itcmdb Generated
ITX-INGREDIENT-F55F85A46609
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H24O5/c1-8-9-4-6-13(2,18)15(19)7-5-10(16)14(15,3)11(9)20-12(8)17/h8-11,16,18-19H,4-7H2,1-3H3/t8-,9-,10-,11+,13+,14-,15+/m0/s1
Mol Wt
284.352
Mol Log P
0.6009999999999998
In Ch Ikey
CMANPNFFEWEOCA-IBVAQNNBSA-N
Tcm Name
银胶菊
Tcm Name2
YIN JIAO JU
Mol2 Path
/TCM_database/2007_3d_all/10919.mol2
Reference
3462
Num Hdonors
3
Tcm Name En
Common Pathenium
Drug Likeness
0.567
Num Hacceptors
5
Isomeric Smiles
C[C@H]1[C@@H]2CC[C@@]([C@@]3(CC[C@@H]([C@]3([C@@H]2OC1=O)C)O)O)(C)O
Canonical Smiles
CC1C2CCC(C3(CCC(C3(C2OC1=O)C)O)O)(C)O
Herb Alias Names
(3R,6S,6aR,9S,9aS)-6,6a,9-Trihydroxy-3,6,9a- trimethylperhydroazuleno[1,2-b]furan-2-one
Molecular Weight
284.160
Molecular Weight
284.35 g/mol
Molecular Formula
C15H24O5
Molecular Formula
C15H24O5
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.307
Quantitative Estimate Of Drug Likeness（Qed）
0.567