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: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 120
- Core Entity Id
- 1171
- Source Entity Count
- 1
- Preferred Name
- Isoglaucanone
- Name En
- Pubchem Id
- 14605585
- Smiles Canonical
- CC1(C)CCC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(C)CCC(=O)[C@H]5CC[C@@]4(C)[C@]3(C)CC[C@@H]12
- Molecular Formula
- C27H44O
- Molecular Weight
- 385.0000
- Inchikey
- QHZGEIFOKNRJQD-XRWCPNORSA-N
- Inchi
- InChI=1S/C27H44O/c1-23(2)13-7-14-25(4)20(23)12-17-27(6)22(25)9-8-21-24(3)15-11-19(28)18(24)10-16-26(21,27)5/h18,20-22H,7-17H2,1-6H3/t18-,20+,21-,22-,24+,25+,26-,27-/m1/s1
- Isomeric Smiles
- Cas Id
- 1172-78-7
- Ob Score
- 17.3670
- Mol Logp
- 7.0000
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 17.0000
- Molecular Volume
- 312.0000
- Alogp
- 7.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Isoglaucanone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
22,29,30-trinor-21-hopanone; (17alphah)-form
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
22,29,30-trinor-21-hopanone; (17alphah)-form
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Isoglaucanone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Isoglaucanone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Isoglaucanone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Isoglaucanone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
isoglaucanone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
骨碎补
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Drynaria fortumei
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
GU SUI BU
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
15.祛风湿药(23-26)
Role
level1_name
Source
TCMBank
Preferred
No
Name
wind-dampness dispelling medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
3.祛风湿强筋骨药(5-5)
Role
level2_name
Source
TCMBank
Preferred
No
Name
wind-dampness dispelling and bone(sinew) strengthening medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Name
22,29,30-trinor-21-hopanone
Role
preferred
Source
HERB_v2
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
22,29,30-trinor-21-hopanone; (17alphah)-form骨碎补Drynaria fortumeiGU SUI BU15.祛风湿药(23-26)wind-dampness dispelling medicinal3.祛风湿强筋骨药(5-5)wind-dampness dispelling and bone(sinew) strengthening medicinal22,29,30-trinor-21-hopanone
Cross References
Trusted external identifiers retained for this final record.
Cas
1172-78-710379-52-9
Herb
HBIN003623HBIN030770HBIN003622
Tcmsp
MOL009067
Sym Map
SMIT10250
Tcm Id
87648765
Tcmbank
TCMBANKIN047394TCMBANKIN035073
Etcm Ingredient
Isoglaucanone
Itcmdb Generated
ITX-INGREDIENT-CFDDEC772B9D
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Alog P
7
Cas Id
1172-78-7
Smiles
C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])([H])[C@]([H])([C@@](C([H])([H])[H])(C([H])([H])C([H])([H])C2=O)[C@]2([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])C1([H])[H]
37 Flag
37
C Count
27
N Count
0
O Count
1
P Count
0
S Count
0
Version
v1,v2
Ob Score
17.36717.3672077717.367208
Suppress
0
Tcm Name
骨碎补
Tcm Name2
Drynaria fortumei
Mol2 Path
/TCM_database/15.祛风湿药(23-26)/3.祛风湿强筋骨药(5-5)/骨碎补/Drynaria fortumei/structure/isoglaucanone.mol2
Tcm Name En
GU SUI BU
Level1 Name
15.祛风湿药(23-26)
Level2 Name
3.祛风湿强筋骨药(5-5)
Num H Donors
0
Level1 Name En
wind-dampness dispelling medicinal
Level2 Name En
wind-dampness dispelling and bone(sinew) strengthening medicinal
Molecule Weight
384.71
Num H Acceptors
1
Molecular Weight
384.340
Molecular Volume
312
Molecular Weight
385
Molecular Formula
C27H44O
Molecular Formula
C27H44O
Molecular Formula
C27H44O
Num Rotatable Bonds
0
Molecular Polar Surface Area
17
Fda Maximum Daily Dose (Fdamdd)
0.683
Quantitative Estimate Of Drug Likeness（Qed）
0.424