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
- 11531
- Core Entity Id
- 15985
- Source Entity Count
- 1
- Preferred Name
- Artemisolide
- Name En
- Pubchem Id
- 102246304
- Smiles Canonical
- CC(C)C12CC1C3(CC45C=CC3(C4C6C(CCC5(C)O)C(=C)C(=O)O6)C)C(=O)C2
- Molecular Formula
- C25H32O4
- Molecular Weight
- 396.5270
- Inchikey
- PICIDNBIDYKWOS-SDVUZRGXSA-N
- Inchi
- InChI=1S/C25H32O4/c1-13(2)23-10-16(23)25(17(26)11-23)12-24-9-8-21(25,4)19(24)18-15(6-7-22(24,5)28)14(3)20(27)29-18/h8-9,13,15-16,18-19,28H,3,6-7,10-12H2,1-2,4-5H3/t15-,16?,18?,19-,21?,22-,23?,24-,25?/m1/s1
- Isomeric Smiles
- CC(C)C12CC1C3(C[C@]45C=CC3([C@H]4C6[C@H](CC[C@@]5(C)O)C(=C)C(=O)O6)C)C(=O)C2
- Cas Id
- Ob Score
- Mol Logp
- 3.8329
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.4160
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Artemisolide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Artemisolide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Artemisolide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Artemisolide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
林地蒿
Role
TCM_name
Source
TCMBank
Preferred
No
Name
LIN DI HAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Woodland Wormwood
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
林地蒿LIN DI HAOWoodland Wormwood
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN016966
Tcmid
1802
Tcm Id
10123101241636216363
Pub Chem
102246304
Tcmbank
TCMBANKIN049822
Etcm Ingredient
Artemisolide
Itcmdb Generated
ITX-INGREDIENT-F71FAA24DF71
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C25H32O4/c1-13(2)23-10-16(23)25(17(26)11-23)12-24-9-8-21(25,4)19(24)18-15(6-7-22(24,5)28)14(3)20(27)29-18/h8-9,13,15-16,18-19,28H,3,6-7,10-12H2,1-2,4-5H3/t15-,16?,18?,19-,21?,22-,23?,24-,25?/m1/s1
Mol Wt
396.5270000000002
Mol Log P
3.832900000000003
In Ch Ikey
PICIDNBIDYKWOS-SDVUZRGXSA-N
Tcm Name
林地蒿
Tcm Name2
LIN DI HAO
Mol2 Path
/TCM_database/2007_3d_all/01802.mol2
Reference
3837
Num Hdonors
1
Tcm Name En
Woodland Wormwood
Drug Likeness
0.416
Num Hacceptors
4
Isomeric Smiles
CC(C)C12CC1C3(C[C@]45C=CC3([C@H]4C6[C@H](CC[C@@]5(C)O)C(=C)C(=O)O6)C)C(=O)C2
Canonical Smiles
CC(C)C12CC1C3(CC45C=CC3(C4C6C(CCC5(C)O)C(=C)C(=O)O6)C)C(=O)C2
Molecular Weight
396.230
Molecular Weight
396.5 g/mol
Molecular Formula
C25H32O4
Molecular Formula
C25H32O4
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.683
Quantitative Estimate Of Drug Likeness（Qed）
0.416