Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 6Ingredient: 1Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 19127
- Core Entity Id
- 24439
- Source Entity Count
- 1
- Preferred Name
- Fawcettiine
- Name En
- Pubchem Id
- 5317325
- Smiles Canonical
- C1([H])([H])C([H])([H])[C@]([H])([C@@]([H])([C@@]([H])(O[H])[C@@]([H])(C([H])([H])[H])C2([H])[H])C([H])([H])[C@@]3([H])OC(C([H])([H])[H])=O)[C@]2([C@]3([H])C([H])([H])C([H])([H])C4([H])[H])N4C1([H])[H ]
- Molecular Formula
- C18H29NO3
- Molecular Weight
- 307.4340
- Inchikey
- DQWOXVBLNUYKHM-SPYVFJBBSA-N
- Inchi
- InChI=1S/C18H29NO3/c1-11-10-18-14-5-3-7-19(18)8-4-6-15(18)16(22-12(2)20)9-13(14)17(11)21/h11,13-17,21H,3-10H2,1-2H3/t11?,13?,14?,15?,16-,17?,18?/m1/s1
- Isomeric Smiles
- CC1CC23C4CCCN2CCCC3C(C1O)C[C@H]4OC(=O)C
- Cas Id
- Ob Score
- Mol Logp
- 2.1995
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7550
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Fawcettiine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Fawcettiine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Fawcettiine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Fawcettiine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Fawcettiine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Fawcettiine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
伸筋草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SHEN JIN CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Common Japanese Clubmoss
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
伸筋草SHEN JIN CAOCommon Japanese Clubmoss
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN026407
Npass
NPC98150
Tcmid
7740
Sym Map
SMIT01418
Tcm Id
4382
Pub Chem
5317325
Tcmbank
TCMBANKIN044580
Etcm Ingredient
Fawcettiine
Itcmdb Generated
ITX-INGREDIENT-C1172547B914
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C18H29NO3/c1-11-10-18-14-5-3-7-19(18)8-4-6-15(18)16(22-12(2)20)9-13(14)17(11)21/h11,13-17,21H,3-10H2,1-2H3/t11?,13?,14?,15?,16-,17?,18?/m1/s1
Mol Wt
307.4340000000001
Smiles
C1([H])([H])C([H])([H])[C@]([H])([C@@]([H])([C@@]([H])(O[H])[C@@]([H])(C([H])([H])[H])C2([H])[H])C([H])([H])[C@@]3([H])OC(C([H])([H])[H])=O)[C@]2([C@]3([H])C([H])([H])C([H])([H])C4([H])[H])N4C1([H])[H
]
Mol Log P
2.1995
Version
v1,v2
In Ch Ikey
DQWOXVBLNUYKHM-SPYVFJBBSA-N
Suppress
0
Tcm Name
伸筋草
Tcm Name2
SHEN JIN CAO
Mol2 Path
/TCM_database/2003_3d_all/3054.mol2
Reference
6
Num Hdonors
1
Tcm Name En
Common Japanese Clubmoss
Drug Likeness
0.755
Num Hacceptors
4
Isomeric Smiles
CC1CC23C4CCCN2CCCC3C(C1O)C[C@H]4OC(=O)C
Canonical Smiles
CC1CC23C4CCCN2CCCC3C(CC4C1O)OC(=O)C
Molecular Weight
307.210
Molecule Formula
C18H29NO3
Molecular Formula
C18H29NO3
Molecular Formula
C18H29NO3
Molecular Formula
C18H29NO3
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.196
Quantitative Estimate Of Drug Likeness（Qed）
0.755