Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 19492
- Core Entity Id
- 24847
- Source Entity Count
- 1
- Preferred Name
- Funtumine
- Name En
- Pubchem Id
- 101702
- Smiles Canonical
- CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)N)C)C
- Molecular Formula
- C21H35NO
- Molecular Weight
- 317.5170
- Inchikey
- POWBIOMTXFDIOP-SYBPFIFISA-N
- Inchi
- InChI=1S/C21H35NO/c1-13(23)17-6-7-18-16-5-4-14-12-15(22)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19H,4-12,22H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1
- Isomeric Smiles
- CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)N)C)C
- Cas Id
- Ob Score
- Mol Logp
- 4.5616
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7700
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Funtumine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Funtumine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Funtumine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
funtumine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-alpha-Amino-20-oxo-5-alpha-pregnane
Role
alias
Source
HERB_v2
Preferred
No
Name
3-alpha-Amino-20-oxo-5-alpha-pregnane
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-alpha-Amino-5-alpha-pregnan-20-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3a-amino-5a-pregnan-20-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3a-amino-5a-pregnan-20-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3alpha-Amino-5alpha-pregnan-20-one
Role
alias
Source
HERB_v2
Preferred
No
Name
474-45-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
474-45-3
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 207-483-9
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 207-483-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
FUNTUMIN
Role
alias
Source
HERB_v2
Preferred
No
Name
FUNTUMIN
Role
alias
Source
itcmdb_public
Preferred
No
Name
Funtumine base
Role
alias
Source
HERB_v2
Preferred
No
Name
Funtumine base
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-29N9T471HT
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-29N9T471HT
Role
alias
Source
itcmdb_public
Preferred
No
Name
退热止泻木; 丝胶树; 刚果河止泻木
Role
TCM_name
Source
TCMBank
Preferred
No
Name
TUI RE ZHI XIE MU; SI JIAO SHU; GANG GUO HE ZHI XIE MU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Febrifuge Holarrhena*; Silk-rubber Tree; Congo Holarrhena*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3-alpha-Amino-20-oxo-5-alpha-pregnane3-alpha-Amino-5-alpha-pregnan-20-one3a-amino-5a-pregnan-20-one3alpha-Amino-5alpha-pregnan-20-one474-45-3EINECS 207-483-9FUNTUMINFuntumine baseUNII-29N9T471HT退热止泻木; 丝胶树; 刚果河止泻木TUI RE ZHI XIE MU; SI JIAO SHU; GANG GUO HE ZHI XIE MUFebrifuge Holarrhena*; Silk-rubber Tree; Congo Holarrhena*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN026841
Npass
NPC110615
Tcmid
8009
Tcm Id
22649226504286
Pub Chem
101702
Tcmbank
TCMBANKIN004790TCMBANKIN053220
Etcm Ingredient
Funtumine
Itcmdb Generated
ITX-INGREDIENT-83A0ACF8B96EITX-INGREDIENT-696A6E6D88A1
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H35NO/c1-13(23)17-6-7-18-16-5-4-14-12-15(22)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19H,4-12,22H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1
Mol Wt
317.5170000000001
Smiles
CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)N)C)C
Mol Log P
4.561600000000004
In Ch Ikey
POWBIOMTXFDIOP-SYBPFIFISA-N
Tcm Name
退热止泻木; 丝胶树; 刚果河止泻木
Tcm Name2
TUI RE ZHI XIE MU; SI JIAO SHU; GANG GUO HE ZHI XIE MU
Mol2 Path
/TCM_database/2003_3d_all/3171.mol2
Reference
658
Num Hdonors
1
Tcm Name En
Febrifuge Holarrhena*; Silk-rubber Tree; Congo Holarrhena*
Drug Likeness
0.77
Num Hacceptors
2
Isomeric Smiles
CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)N)C)C
Canonical Smiles
CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)N)C)C
Herb Alias Names
474-45-33alpha-Amino-5alpha-pregnan-20-oneFuntumine baseEINECS 207-483-93a-amino-5a-pregnan-20-one3-alpha-Amino-5-alpha-pregnan-20-one3-alpha-Amino-20-oxo-5-alpha-pregnaneUNII-29N9T471HTFUNTUMIN
Molecular Weight
317.270
Molecular Weight
317.5 g/mol
Molecular Formula
C21H35NO
Molecular Formula
C21H35NO
Molecular Formula
C21H35NO
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.751
Quantitative Estimate Of Drug Likeness（Qed）
0.770