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
- 47126
- Core Entity Id
- 90137
- Source Entity Count
- 1
- Preferred Name
- 8-O-acetylarteminolide
- Name En
- Pubchem Id
- 13918475
- Smiles Canonical
- C=C1C(=O)O[C@@H]2[C@@H]3[C@@]4(C=C[C@@]3(C)[C@]3(C4)C(=O)O[C@@H]4[C@H]5C(C)=CC(=O)C5=C(C)C[C@H](OC(C)=O)[C@H]43)[C@](C)(O)CC[C@@H]12
- Molecular Formula
- C32H36O8
- Molecular Weight
- 549.0000
- Inchikey
- QRRHSLGZWSABSR-ZQYVQHTBSA-N
- Inchi
- InChI=1S/C32H36O8/c1-14-11-19(34)21-15(2)12-20(38-17(4)33)23-25(22(14)21)40-28(36)32(23)13-31-10-9-29(32,5)26(31)24-18(7-8-30(31,6)37)16(3)27(35)39-24/h9-11,18,20,22-26,37H,3,7-8,12-13H2,1-2,4-6H3/t18-,20-,22-,23+,24-,25+,26-,29+,30+,31-,32-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.0000
- Num H Donors
- 1
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 116.0000
- Molecular Volume
- 368.0000
- Alogp
- 3.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
8-O-acetylarteminolide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
8-O-acetylarteminolide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
刘寄奴
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Herba Artemisiae Anomalae
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
8.活血化瘀药(33-33)
Role
level1_name
Source
TCMBank
Preferred
No
Name
blood-activating and stasis-resolving medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
3.活血疗伤药(9-9)
Role
level2_name
Source
TCMBank
Preferred
No
Name
blood-activating trauma-curing medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
刘寄奴Herba Artemisiae Anomalae8.活血化瘀药(33-33)blood-activating and stasis-resolving medicinal3.活血疗伤药(9-9)blood-activating trauma-curing medicinal
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN024203
Etcm Ingredient
8-O-acetylarteminolide
Itcmdb Generated
ITX-INGREDIENT-2A324330C883ITX-INGREDIENT-D0AC29D26552
Attributes
Merged source attributes and domain-specific metadata.
Alog P
3
Smiles
C1(=O)C(=C(C([H])([H])[H])C([H])([H])[C@]([H])(OC(C([H])([H])[H])=O)[C@@]([H])([C@@]2(C([H])([H])[C@@]3([C@]4([H])[C@@]2(C([H])([H])[H])C([H])=C3[H])[C@](C([H])([H])[H])(O[H])C([H])([H])C([H])([H])[C@
@]([H])(C(=C([H])[H])C(=O)O5)[C@@]45[H])C(=O)O6)[C@]67[H])[C@]7([H])C(C([H])([H])[H])=C1[H]
37 Flag
37
C Count
32
N Count
0
O Count
8
P Count
0
S Count
0
Tcm Name
刘寄奴
Mol2 Path
/TCM_database/8.活血化瘀药(33-33)/3.活血疗伤药(9-9)/刘寄奴/Structure/8-O-acetylarteminolide.mol2
Tcm Name En
Herba Artemisiae Anomalae
Level1 Name
8.活血化瘀药(33-33)
Level2 Name
3.活血疗伤药(9-9)
Num H Donors
1
Level1 Name En
blood-activating and stasis-resolving medicinal
Level2 Name En
blood-activating trauma-curing medicinal
Num H Acceptors
8
Molecular Weight
548.240
Molecular Volume
368
Molecular Weight
549
Molecular Formula
C32H36O8
Molecular Formula
C32H36O8
Num Rotatable Bonds
2
Molecular Polar Surface Area
116
Fda Maximum Daily Dose (Fdamdd)
0.844
Quantitative Estimate Of Drug Likeness（Qed）
0.227