Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8789
- Core Entity Id
- 12938
- Source Entity Count
- 1
- Preferred Name
- 8-beta-acetoxyhysterone c
- Name En
- Pubchem Id
- 11290745
- Smiles Canonical
- CC1C2C(CC(C3(C=CC(C3(C2OC1=O)C)O)O)(C)O)OC(=O)C
- Molecular Formula
- C17H24O7
- Molecular Weight
- 340.3720
- Inchikey
- OPRXYCSDSGOXEZ-RCRRSPMWSA-N
- Inchi
- InChI=1S/C17H24O7/c1-8-12-10(23-9(2)18)7-15(3,21)17(22)6-5-11(19)16(17,4)13(12)24-14(8)20/h5-6,8,10-13,19,21-22H,7H2,1-4H3/t8-,10+,11-,12+,13+,15+,16-,17+/m0/s1
- Isomeric Smiles
- C[C@H]1[C@@H]2[C@@H](C[C@@]([C@@]3(C=C[C@@H]([C@]3([C@@H]2OC1=O)C)O)O)(C)O)OC(=O)C
- Cas Id
- Ob Score
- Mol Logp
- -0.0814
- Num H Donors
- 3
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.4520
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
8--beta-Acetoxyhysterone C
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
8-beta-acetoxyhysterone c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
8-beta-acetoxyhysterone c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
8--beta-Acetoxyhysterone C
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013658
Tcmid
239
Pub Chem
11290745
Etcm Ingredient
8--beta-Acetoxyhysterone C
Itcmdb Generated
ITX-INGREDIENT-0B04B31CDE4E
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H24O7/c1-8-12-10(23-9(2)18)7-15(3,21)17(22)6-5-11(19)16(17,4)13(12)24-14(8)20/h5-6,8,10-13,19,21-22H,7H2,1-4H3/t8-,10+,11-,12+,13+,15+,16-,17+/m0/s1
Mol Wt
340.3720000000001
Mol Log P
-0.08139999999999997
In Ch Ikey
OPRXYCSDSGOXEZ-RCRRSPMWSA-N
Num Hdonors
3
Drug Likeness
0.452
Num Hacceptors
7
Isomeric Smiles
C[C@H]1[C@@H]2[C@@H](C[C@@]([C@@]3(C=C[C@@H]([C@]3([C@@H]2OC1=O)C)O)O)(C)O)OC(=O)C
Canonical Smiles
CC1C2C(CC(C3(C=CC(C3(C2OC1=O)C)O)O)(C)O)OC(=O)C
Molecular Weight
340.150
Molecular Formula
C17H24O7
Molecular Formula
C17H24O7
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.109
Quantitative Estimate Of Drug Likeness（Qed）
0.452