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
- 48439
- Core Entity Id
- 91450
- Source Entity Count
- 1
- Preferred Name
- myrrhasin
- Name En
- Myrrhasin
- Pubchem Id
- 42632429
- Smiles Canonical
- CC(C)=CCC[C@H](C)[C@@H]1CC=C2[C@]3(C)CC[C@H]4C(C)(C)[C@@H](O)C[C@@H](O)[C@]4(C)[C@H]3CC[C@]21C
- Molecular Formula
- C30H50O2
- Molecular Weight
- 443.0000
- Inchikey
- YTDWFQYMAFQRGV-BIMLBXDVSA-N
- Inchi
- InChI=1S/C30H50O2/c1-19(2)10-9-11-20(3)21-12-13-23-28(21,6)16-15-24-29(23,7)17-14-22-27(4,5)25(31)18-26(32)30(22,24)8/h10,13,20-22,24-26,31-32H,9,11-12,14-18H2,1-8H3/t20-,21-,22-,24-,25-,26+,28-,29-,30-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 7.0000
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 40.0000
- Molecular Volume
- 345.0000
- Alogp
- 7.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
myrrhasin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
myrrhasin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
没药
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MO YAO
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
1.活血止痛药(7-7)
Role
level2_name
Source
TCMBank
Preferred
No
Name
blood-activating analgesic medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
没药MO YAO8.活血化瘀药(33-33)blood-activating and stasis-resolving medicinal1.活血止痛药(7-7)blood-activating analgesic medicinal
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN028463
Etcm Ingredient
myrrhasin
Itcmdb Generated
ITX-INGREDIENT-04FFA0BB3AA0ITX-INGREDIENT-B1F7C9E26958
Attributes
Merged source attributes and domain-specific metadata.
Alog P
7
Smiles
C1([H])([H])[C@@]([H])(O[H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])C3=C([H])C([H])([H])[C@@]2([H])[C@]([H])(C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])(
[H])[H])C([H])([H])[H])[C@@]3(C([H])([H])[H])C([H])([H])C4([H])[H])[C@]4([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[H]
37 Flag
37
C Count
30
N Count
0
O Count
2
P Count
0
S Count
0
Tcm Name
没药
Mol2 Path
/TCM_database/8.活血化瘀药(33-33)/1.活血止痛药(7-7)/没药/Structures/myrrhasin.mol2
Tcm Name En
MO YAO
Level1 Name
8.活血化瘀药(33-33)
Level2 Name
1.活血止痛药(7-7)
Num H Donors
2
Level1 Name En
blood-activating and stasis-resolving medicinal
Level2 Name En
blood-activating analgesic medicinal
Num H Acceptors
2
Molecular Weight
442.380
Molecular Volume
345
Molecular Weight
443
Molecular Formula
C30H50O2
Molecular Formula
C30H50O2
Num Rotatable Bonds
4
Molecular Polar Surface Area
40
Fda Maximum Daily Dose (Fdamdd)
0.996
Quantitative Estimate Of Drug Likeness（Qed）
0.448