Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 9Ingredient: 1Target: 4Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 18634
- Core Entity Id
- 23889
- Source Entity Count
- 1
- Preferred Name
- Seneciphylline
- Name En
- Pubchem Id
- 118701603
- Smiles Canonical
- CC=C1CC(=C)C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(C)O
- Molecular Formula
- C18H23NO5
- Molecular Weight
- 333.3840
- Inchikey
- FCEVNJIUIMLVML-GOQJIKJNSA-N
- Inchi
- InChI=1S/C18H23NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4-/t14-,15-,18-/m1/s1
- Isomeric Smiles
- C/C=C\1/CC(=C)[C@@](C(=O)OCC2=CCN3C2C(CC3)OC1=O)(C)O
- Cas Id
- Ob Score
- Mol Logp
- 1.1129
- Num H Donors
- 1
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4070
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Seneciphylline
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(E)-Seneciphylline
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(E)-Seneciphylline
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(e)-seneciphylline
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(e)-seneciphylline
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Seneciphylline
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Seneciphylline
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Seneciphylline
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Seneciphylline
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
seneciphylline
Role
preferred
Source
TCMBank
Preferred
Yes
Name
土三七
Role
TCM_name
Source
TCMBank
Preferred
No
Name
TU SAN QI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Chrusanthemum-like Groundsel
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
13,19-Didehydro-12-hydroxysenecionan-11,16-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
13,19-Didehydro-12-hydroxysenecionan-11,16-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
480-81-9
Role
alias
Source
HERB_v2
Preferred
No
Name
480-81-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
ALPHA-LONGILOBINE
Role
alias
Source
HERB_v2
Preferred
No
Name
ALPHA-LONGILOBINE
Role
alias
Source
itcmdb_public
Preferred
No
Name
Jacodine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Jacodine
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 30622
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC30622
Role
alias
Source
HERB_v2
Preferred
No
Name
Seneciophylline
Role
alias
Source
itcmdb_public
Preferred
No
Name
Seneciophylline
Role
alias
Source
HERB_v2
Preferred
No
Name
Seneciphyllin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Seneciphyllin
Role
alias
Source
HERB_v2
Preferred
No
Name
Seniciphylline
Role
alias
Source
itcmdb_public
Preferred
No
Name
Seniciphylline
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(E)-Seneciphylline土三七TU SAN QIChrusanthemum-like Groundsel13,19-Didehydro-12-hydroxysenecionan-11,16-dione480-81-9ALPHA-LONGILOBINEJacodineNSC 30622NSC30622SeneciophyllineSeneciphyllinSeniciphylline
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025802HBIN043700
Npass
NPC181510
Tcmid
1969723691
Sym Map
SMIT26752
Tcm Id
1032159152067023669
Pub Chem
1187016035281750
Tcmbank
TCMBANKIN043044TCMBANKIN059411
Etcm Ingredient
(E)-SeneciphyllineSeneciphylline
Itcmdb Generated
ITX-INGREDIENT-1F6A65397D90ITX-INGREDIENT-22CF5B6F1731ITX-INGREDIENT-2D8DA06A13FCITX-INGREDIENT-FBDA564C4A1E
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C18H23NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4-/t14-,15-,18-/m1/s1InChI=1S/C18H23NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4-/t14?,15?,18-/m1/s1
Mol Wt
333.3840000000001
Smiles
CC=C1CC(=C)C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(C)O
Mol Log P
1.1129
Version
v2
In Ch Ikey
FCEVNJIUIMLVML-GOQJIKJNSA-NFCEVNJIUIMLVML-QPSVUOIXSA-N
Suppress
0
Tcm Name
土三七
Tcm Name2
TU SAN QI
Mol2 Path
/TCM_database/2007_3d_all/19712.mol2
Reference
6, 151, 658
Num Hdonors
1
Tcm Name En
Chrusanthemum-like Groundsel
Drug Likeness
0.407
Num Hacceptors
6
Isomeric Smiles
C/C=C\1/CC(=C)[C@@](C(=O)OCC2=CCN3C2C(CC3)OC1=O)(C)OC/C=C\1/CC(=C)[C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)O
Canonical Smiles
CC=C1CC(=C)C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(C)O
Molecular Weight
333.160
Molecular Weight
333.4 g/mol
Molecular Formula
C18H23NO5
Molecular Formula
C18H23NO5
Molecular Formula
C18H23NO5
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.8810.883
Quantitative Estimate Of Drug Likeness（Qed）
0.407