Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 48937
- Core Entity Id
- 91948
- Source Entity Count
- 1
- Preferred Name
- Epilupeol
- Name En
- Pubchem Id
- 162996331
- Smiles Canonical
- C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12
- Molecular Formula
- C30H50O
- Molecular Weight
- 427.0000
- Inchikey
- MQYXUWHLBZFQQO-SZZGJXMXSA-N
- Inchi
- InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21-,22+,23+,24+,25+,27+,28-,29+,30+/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- 17.7239
- Mol Logp
- 7.0000
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 20.0000
- Molecular Volume
- 350.0000
- Alogp
- 7.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Epilupeol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Epilupeol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
epilupeol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
乳香
Role
TCM_name
Source
TCMBank
Preferred
No
Name
RU XIANG
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.
乳香RU XIANG8.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
TCMBANKIN030002
Etcm Ingredient
Epilupeol
Itcmdb Generated
ITX-INGREDIENT-ABDCB37DB743ITX-INGREDIENT-CA3F51D5CA98
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Alog P
7
Smiles
C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])([H])[C@@]([H])([C@@]([H])([C@]([H])(C(C([H])([H])[H])=C([H])[H])C([H])([H])C2([H])[H])[C@@]2(C([H])([H])[H])C([H])([H])C3([H])[
H])[C@@]34C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C5([H])[H])[C@@]5([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
1
P Count
0
S Count
0
Version
v1,v2
Ob Score
17.72392893
Suppress
0
Tcm Name
乳香
Mol2 Path
/TCM_database/8.活血化瘀药(33-33)/1.活血止痛药(7-7)/乳香/Structures/epilupeol.mol2
Tcm Name En
RU XIANG
Level1 Name
8.活血化瘀药(33-33)
Level2 Name
1.活血止痛药(7-7)
Num H Donors
1
Level1 Name En
blood-activating and stasis-resolving medicinal
Level2 Name En
blood-activating analgesic medicinal
Molecule Weight
426.8
Num H Acceptors
1
Molecular Weight
426.390
Molecular Volume
350
Molecular Weight
427
Molecular Formula
C30H50O
Molecular Formula
C30H50O
Num Rotatable Bonds
1
Molecular Polar Surface Area
20
Fda Maximum Daily Dose (Fdamdd)
0.845
Quantitative Estimate Of Drug Likeness（Qed）
0.421