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
- 37654
- Core Entity Id
- 57492
- Source Entity Count
- 1
- Preferred Name
- 11-acetyl-1,19-epoxydenudatine
- Name En
- Pubchem Id
- 101589674
- Smiles Canonical
- CCN1C2C3CC4C2(C5CCC4(C1O5)C)C6C37CCC(C6OC(=O)C)C(=C)C7O
- Molecular Formula
- C24H33NO4
- Molecular Weight
- 399.5310
- Inchikey
- ZJQGYZLTPGHVJZ-IDMMCZFASA-N
- Inchi
- InChI=1S/C24H33NO4/c1-5-25-19-14-10-15-22(4)8-7-16(29-21(22)25)24(15,19)18-17(28-12(3)26)13-6-9-23(14,18)20(27)11(13)2/h13-21,27H,2,5-10H2,1,3-4H3/t13-,14?,15-,16+,17+,18-,19-,20-,21-,22-,23+,24-/m1/s1
- Isomeric Smiles
- CCN1[C@@H]2C3C[C@H]4[C@@]2([C@@H]5CC[C@]4([C@H]1O5)C)[C@H]6[C@]37CC[C@@H]([C@@H]6OC(=O)C)C(=C)[C@H]7O
- Cas Id
- Ob Score
- Mol Logp
- 2.7266
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.5720
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
11-Acetyl-1,19-epoxydenudatine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
11-acetyl-1,19-epoxydenudatine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
11-acetyl-1,19-epoxydenudatine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
吉林乌头
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JI LIN WU TOU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Kirin Monkshood*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
吉林乌头JI LIN WU TOUKirin Monkshood*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN000334
Tcmid
388
Pub Chem
101589674
Tcmbank
TCMBANKIN043805
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C24H33NO4/c1-5-25-19-14-10-15-22(4)8-7-16(29-21(22)25)24(15,19)18-17(28-12(3)26)13-6-9-23(14,18)20(27)11(13)2/h13-21,27H,2,5-10H2,1,3-4H3/t13-,14?,15-,16+,17+,18-,19-,20-,21-,22-,23+,24-/m1/s1
Mol Wt
399.5310000000002
Mol Log P
2.726600000000002
In Ch Ikey
ZJQGYZLTPGHVJZ-IDMMCZFASA-N
Tcm Name
吉林乌头
Tcm Name2
JI LIN WU TOU
Mol2 Path
/TCM_database/2007_3d_all/00388.mol2
Reference
2515
Num Hdonors
1
Tcm Name En
Kirin Monkshood*
Drug Likeness
0.572
Num Hacceptors
5
Isomeric Smiles
CCN1[C@@H]2C3C[C@H]4[C@@]2([C@@H]5CC[C@]4([C@H]1O5)C)[C@H]6[C@]37CC[C@@H]([C@@H]6OC(=O)C)C(=C)[C@H]7O
Canonical Smiles
CCN1C2C3CC4C2(C5CCC4(C1O5)C)C6C37CCC(C6OC(=O)C)C(=C)C7O
Molecular Weight
399.5 g/mol
Molecular Formula
C24H33NO4
Num Rotatable Bonds
2