Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 11532
- Core Entity Id
- 15986
- Source Entity Count
- 1
- Preferred Name
- Artemyriantholide a
- Name En
- Pubchem Id
- 21668648
- Smiles Canonical
- CC1=CCC23C1C4C(CCC2(O3)C)C5(CC6CC57C(=C6C)C8C(CCC7(C)O)C(=C)C(=O)O8)C(=O)O4
- Molecular Formula
- C30H36O6
- Molecular Weight
- 492.6120
- Inchikey
- AJSGVZRKBLZUOW-QEBSJFLJSA-N
- Inchi
- InChI=1S/C30H36O6/c1-14-6-11-30-20(14)23-19(8-10-27(30,5)36-30)28(25(32)35-23)12-17-13-29(28)21(15(17)2)22-18(7-9-26(29,4)33)16(3)24(31)34-22/h6,17-20,22-23,33H,3,7-13H2,1-2,4-5H3/t17-,18-,19+,20+,22-,23-,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@H]6C[C@]57C(=C6C)[C@@H]8[C@@H](CC[C@@]7(C)O)C(=C)C(=O)O8)C(=O)O4
- Cas Id
- Ob Score
- Mol Logp
- 4.1712
- Num H Donors
- 1
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.2360
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Artemyriantholide A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Artemyriantholide A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Artemyriantholide a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Artemyriantholide a
Role
preferred
Source
itcmdb_public
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
Artemyriantholide B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Artemyriantholide b
Role
preferred
Source
HERB_v2
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
伊夸YI KUAManyflower WormwoodArtemyriantholide B
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN016967HBIN016968
Tcmid
18031804
Pub Chem
2166864811016477
Tcmbank
TCMBANKIN007964TCMBANKIN015692TCMBANKIN060003
Etcm Ingredient
Artemyriantholide AArtemyriantholide B
Itcmdb Generated
ITX-INGREDIENT-18C0B38F0AFFITX-INGREDIENT-A28E73AA5788ITX-INGREDIENT-4E5313F3C82DITX-INGREDIENT-853562499B42
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C30H36O6/c1-14-6-11-30-20(14)23-19(8-10-27(30,5)36-30)28(25(32)35-23)12-17-13-29(28)21(15(17)2)22-18(7-9-26(29,4)33)16(3)24(31)34-22/h6,17-20,22-23,33H,3,7-13H2,1-2,4-5H3/t17-,18-,19+,20+,22-,23-,26+,27-,28-,29+,30+/m0/s1
Mol Wt
492.6120000000003
Smiles
CC1=CCC23C1C4C(CCC2(O3)C)C5(CC6CC57C(=C6C)C8C(CCC7(C)O)C(=C)C(=O)O8)C(=O)O4
Mol Log P
4.171200000000003
In Ch Ikey
AJSGVZRKBLZUOW-QEBSJFLJSA-N
Tcm Name
伊夸
Tcm Name2
YI KUA
Mol2 Path
/TCM_database/2007_3d_all/01803.mol2
Reference
4618
Num Hdonors
1
Tcm Name En
Manyflower Wormwood
Drug Likeness
0.236
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@H]6C[C@]57C(=C6C)[C@@H]8[C@@H](CC[C@@]7(C)O)C(=C)C(=O)O8)C(=O)O4
Canonical Smiles
CC1=CCC23C1C4C(CCC2(O3)C)C5(CC6CC57C(=C6C)C8C(CCC7(C)O)C(=C)C(=O)O8)C(=O)O4
Molecular Weight
492.250
Molecular Formula
C30H36O6
Molecular Formula
C30H36O6
Molecular Formula
C30H36O6
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.858
Quantitative Estimate Of Drug Likeness（Qed）
0.236