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
- 11517
- Core Entity Id
- 15970
- Source Entity Count
- 1
- Preferred Name
- Arteminolide d
- Name En
- Pubchem Id
- 24941966
- Smiles Canonical
- CC=C(C)C(=O)OC1CC(=C2C(C3C1C4(CC56C=CC4(C5C7C(CCC6(C)O)C(=C)C(=O)O7)C)C(=O)O3)C(=CC2=O)C)C
- Molecular Formula
- C35H40O8
- Molecular Weight
- 588.6970
- Inchikey
- LUINMJXRHOGJPY-JXDPUYADSA-N
- Inchi
- InChI=1S/C35H40O8/c1-8-16(2)29(37)41-22-14-18(4)23-21(36)13-17(3)24(23)27-25(22)35(31(39)43-27)15-34-12-11-32(35,6)28(34)26-20(9-10-33(34,7)40)19(5)30(38)42-26/h8,11-13,20,22,24-28,40H,5,9-10,14-15H2,1-4,6-7H3/b16-8+/t20-,22-,24-,25+,26-,27+,28-,32-,33+,34-,35+/m0/s1
- Isomeric Smiles
- C/C=C(\C)/C(=O)O[C@H]1CC(=C2[C@@H]([C@@H]3[C@@H]1[C@]4(C[C@@]56C=C[C@]4([C@@H]5[C@@H]7[C@@H](CC[C@@]6(C)O)C(=C)C(=O)O7)C)C(=O)O3)C(=CC2=O)C)C
- Cas Id
- Ob Score
- Mol Logp
- 4.4828
- Num H Donors
- 1
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.2170
- Polar Surface Area
- 116.0000
- Molecular Volume
- 422.0000
- Alogp
- 5.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Arteminolide D
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Arteminolide D
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Arteminolide d
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Arteminolide d
Role
preferred
Source
itcmdb_public
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
HBIN016948
Tcmid
1791
Tcm Id
101101011110112101131634916350
Pub Chem
24941966
Tcmbank
TCMBANKIN036965
Etcm Ingredient
Arteminolide D
Itcmdb Generated
ITX-INGREDIENT-C7F88B5261F2
Attributes
Merged source attributes and domain-specific metadata.
Alog P
5
In Ch I
InChI=1S/C35H40O8/c1-8-16(2)29(37)41-22-14-18(4)23-21(36)13-17(3)24(23)27-25(22)35(31(39)43-27)15-34-12-11-32(35,6)28(34)26-20(9-10-33(34,7)40)19(5)30(38)42-26/h8,11-13,20,22,24-28,40H,5,9-10,14-15H2,1-4,6-7H3/b16-8+/t20-,22-,24-,25+,26-,27+,28-,32-,33+,34-,35+/m0/s1
Mol Wt
588.6970000000003
37 Flag
37
C Count
36
Mol Log P
4.482800000000004
N Count
0
O Count
8
P Count
0
S Count
0
In Ch Ikey
LUINMJXRHOGJPY-JXDPUYADSA-N
Tcm Name
林地蒿
Tcm Name2
LIN DI HAO
Mol2 Path
/TCM_database/2007_3d_all/01791.mol2
Reference
3837
Num Hdonors
1
Tcm Name En
Woodland Wormwood
Num H Donors
1
Drug Likeness
0.217
Num Hacceptors
8
Isomeric Smiles
C/C=C(\C)/C(=O)O[C@H]1CC(=C2[C@@H]([C@@H]3[C@@H]1[C@]4(C[C@@]56C=C[C@]4([C@@H]5[C@@H]7[C@@H](CC[C@@]6(C)O)C(=C)C(=O)O7)C)C(=O)O3)C(=CC2=O)C)C
Num H Acceptors
8
Canonical Smiles
CC=C(C)C(=O)OC1CC(=C2C(C3C1C4(CC56C=CC4(C5C7C(CCC6(C)O)C(=C)C(=O)O7)C)C(=O)O3)C(=CC2=O)C)C
Molecular Weight
606.320
Molecular Volume
422
Molecular Weight
588.7 g/mol
Molecular Formula
C36H46O8
Molecular Formula
C35H40O8
Num Rotatable Bonds
2
Num Rotatable Bonds
6
Molecular Polar Surface Area
116
Fda Maximum Daily Dose (Fdamdd)
0.713
Quantitative Estimate Of Drug Likeness（Qed）
0.204