Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 5Links: 11
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 41367
- Core Entity Id
- 84378
- Source Entity Count
- 1
- Preferred Name
- (3beta)-3-hydroxy-24-methylenelanost-8-ene-7,11-dione
- Name En
- Pubchem Id
- 162900186
- Smiles Canonical
- C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3=O)C(C)C
- Molecular Formula
- C31H48O3
- Molecular Weight
- 469.0000
- Inchikey
- FKQMFMWKIVNCAI-YELFOXBVSA-N
- Inchi
- InChI=1S/C31H48O3/c1-18(2)19(3)10-11-20(4)21-12-15-30(8)27-22(32)16-24-28(5,6)25(34)13-14-29(24,7)26(27)23(33)17-31(21,30)9/h18,20-21,24-25,34H,3,10-17H2,1-2,4-9H3/t20-,21-,24-,25+,29+,30+,31-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 6.0000
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 54.0000
- Molecular Volume
- 365.0000
- Alogp
- 6.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(3beta)-3-hydroxy-24-methylenelanost-8-ene-7,11-dione
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(3beta)-3-hydroxy-24-methylenelanost-8-ene-7,11-dione
Role
preferred
Source
TCMBank
Preferred
Yes
Name
地锦草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Creeping Euphorbia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2.清热药(64-64)
Role
level1_name
Source
TCMBank
Preferred
No
Name
heat-clearing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
3.清热解毒药(30-30)
Role
level2_name
Source
TCMBank
Preferred
No
Name
heat-clearing and detoxicating medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
地锦草Creeping Euphorbia2.清热药(64-64)heat-clearing medicinal3.清热解毒药(30-30)heat-clearing and detoxicating medicinal
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN004317
Etcm Ingredient
(3beta)-3-hydroxy-24-methylenelanost-8-ene-7,11-dione
Itcmdb Generated
ITX-INGREDIENT-9872E3F46338ITX-INGREDIENT-A65D0548F0BE
Attributes
Merged source attributes and domain-specific metadata.
Alog P
6
Smiles
[C@]1([H])(O[H])C([C@]2([H])[C@@](C([H])([H])[H])(C(C(=O)C([H])([H])[C@](C([H])([H])[H])([C@@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C(=C([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([
H])([H])C3([H])[H])[C@@]34C([H])([H])[H])=C4C(=O)C2([H])[H])C([H])([H])C1([H])[H])(C([H])([H])[H])C([H])([H])[H]
37 Flag
37
C Count
31
N Count
0
O Count
3
P Count
0
S Count
0
Tcm Name
地锦草
Mol2 Path
/TCM_database/2.清热药(64-64)/3.清热解毒药(30-30)/地锦草/structure/(3beta)-3-hydroxy-24-methylenelanost-8-ene-7,11-dione.mol2
Tcm Name En
Creeping Euphorbia
Level1 Name
2.清热药(64-64)
Level2 Name
3.清热解毒药(30-30)
Num H Donors
1
Level1 Name En
heat-clearing medicinal
Level2 Name En
heat-clearing and detoxicating medicinal
Num H Acceptors
3
Molecular Weight
468.360
Molecular Volume
365
Molecular Weight
469
Molecular Formula
C31H48O3
Molecular Formula
C31H48O3
Num Rotatable Bonds
5
Molecular Polar Surface Area
54
Fda Maximum Daily Dose (Fdamdd)
0.896
Quantitative Estimate Of Drug Likeness（Qed）
0.438