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
- 11535
- Core Entity Id
- 15990
- Source Entity Count
- 1
- Preferred Name
- Artemyriantholide d
- Name En
- Pubchem Id
- 21668651
- Smiles Canonical
- CC1=CCC23C1C4C(CCC2(O3)C)C5(CC67C=CC5(C6C8C(CCC7(C)O)C(=C)C(=O)O8)C)C(=O)O4
- Molecular Formula
- C30H36O6
- Molecular Weight
- 492.6120
- Inchikey
- ZIEXIIVSXSCSRL-KYHVQWHXSA-N
- Inchi
- InChI=1S/C30H36O6/c1-15-6-11-30-19(15)21-18(8-10-27(30,5)36-30)29(24(32)35-21)14-28-13-12-25(29,3)22(28)20-17(7-9-26(28,4)33)16(2)23(31)34-20/h6,12-13,17-22,33H,2,7-11,14H2,1,3-5H3/t17-,18+,19+,20-,21-,22-,25+,26+,27-,28-,29+,30+/m0/s1
- Isomeric Smiles
- CC1=CC[C@@]23[C@H]1[C@@H]4[C@@H](CC[C@@]2(O3)C)[C@]5(C[C@@]67C=C[C@@]5([C@@H]6[C@@H]8[C@@H](CC[C@@]7(C)O)C(=C)C(=O)O8)C)C(=O)O4
- Cas Id
- Ob Score
- Mol Logp
- 4.0271
- Num H Donors
- 1
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.2380
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Artemyriantholide D
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Artemyriantholide D
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Artemyriantholide d
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Artemyriantholide d
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
伊夸
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YI KUA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Manyflower Wormwood
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(1R,1'R,2'R,3S,5'S,6S,7S,9'S,10S,10'S,11R,11'R)-2'-Hydroxy-2',3,11',12-tetramethyl-6'-methylidenespiro[2,9-dioxatetracyclo[9.3.0.01,3.06,10]tetradec-12-ene-7,15'-8-oxatetracyclo[9.2.2.01,10.05,9]pentadec-12-ene]-7',8-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1R,1'R,2'R,3S,5'S,6S,7S,9'S,10S,10'S,11R,11'R)-2'-Hydroxy-2',3,11',12-tetramethyl-6'-methylidenespiro[2,9-dioxatetracyclo[9.3.0.01,3.06,10]tetradec-12-ene-7,15'-8-oxatetracyclo[9.2.2.01,10.05,9]pentadec-12-ene]-7',8-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
421558-76-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
421558-76-1
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
伊夸YI KUAManyflower Wormwood(1R,1'R,2'R,3S,5'S,6S,7S,9'S,10S,10'S,11R,11'R)-2'-Hydroxy-2',3,11',12-tetramethyl-6'-methylidenespiro[2,9-dioxatetracyclo[9.3.0.01,3.06,10]tetradec-12-ene-7,15'-8-oxatetracyclo[9.2.2.01,10.05,9]pentadec-12-ene]-7',8-dione421558-76-1
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN016970
Tcmid
1806
Pub Chem
21668651
Tcmbank
TCMBANKIN042438
Etcm Ingredient
Artemyriantholide D
Itcmdb Generated
ITX-INGREDIENT-86A5CE815782
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C30H36O6/c1-15-6-11-30-19(15)21-18(8-10-27(30,5)36-30)29(24(32)35-21)14-28-13-12-25(29,3)22(28)20-17(7-9-26(28,4)33)16(2)23(31)34-20/h6,12-13,17-22,33H,2,7-11,14H2,1,3-5H3/t17-,18+,19+,20-,21-,22-,25+,26+,27-,28-,29+,30+/m0/s1
Mol Wt
492.6120000000003
Mol Log P
4.027100000000003
In Ch Ikey
ZIEXIIVSXSCSRL-KYHVQWHXSA-N
Tcm Name
伊夸
Tcm Name2
YI KUA
Mol2 Path
/TCM_database/2007_3d_all/01806.mol2
Reference
4618
Num Hdonors
1
Tcm Name En
Manyflower Wormwood
Drug Likeness
0.238
Num Hacceptors
6
Isomeric Smiles
CC1=CC[C@@]23[C@H]1[C@@H]4[C@@H](CC[C@@]2(O3)C)[C@]5(C[C@@]67C=C[C@@]5([C@@H]6[C@@H]8[C@@H](CC[C@@]7(C)O)C(=C)C(=O)O8)C)C(=O)O4
Canonical Smiles
CC1=CCC23C1C4C(CCC2(O3)C)C5(CC67C=CC5(C6C8C(CCC7(C)O)C(=C)C(=O)O8)C)C(=O)O4
Herb Alias Names
(1R,1'R,2'R,3S,5'S,6S,7S,9'S,10S,10'S,11R,11'R)-2'-Hydroxy-2',3,11',12-tetramethyl-6'-methylidenespiro[2,9-dioxatetracyclo[9.3.0.01,3.06,10]tetradec-12-ene-7,15'-8-oxatetracyclo[9.2.2.01,10.05,9]pentadec-12-ene]-7',8-dione421558-76-1
Molecular Weight
492.250
Molecular Weight
492.6 g/mol
Molecular Formula
C30H36O6
Molecular Formula
C30H36O6
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.813
Quantitative Estimate Of Drug Likeness（Qed）
0.238