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
- 27908
- Core Entity Id
- 34205
- Source Entity Count
- 1
- Preferred Name
- Norerythrostachaldine
- Name En
- Pubchem Id
- 5281283
- Smiles Canonical
- CC1C2C(CCC1=CC(=O)OCCNC)C3(CCC(C(C3CC2O)(C)C=O)O)C
- Molecular Formula
- C23H37NO5
- Molecular Weight
- 407.5510
- Inchikey
- UYLBTGMINJIZAG-PQTOTZOPSA-N
- Inchi
- InChI=1S/C23H37NO5/c1-14-15(11-20(28)29-10-9-24-4)5-6-16-21(14)17(26)12-18-22(16,2)8-7-19(27)23(18,3)13-25/h11,13-14,16-19,21,24,26-27H,5-10,12H2,1-4H3/b15-11+/t14-,16-,17-,18+,19-,21-,22+,23+/m0/s1
- Isomeric Smiles
- C[C@@H]\1[C@H]2[C@H](CC/C1=C\C(=O)OCCNC)[C@]3(CC[C@@H]([C@]([C@@H]3C[C@@H]2O)(C)C=O)O)C
- Cas Id
- Ob Score
- Mol Logp
- 2.0847
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.2800
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Norerythrostachaldine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Norerythrostachaldine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Norerythrostachaldine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Norerythrostachaldine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
norerythrostachaldine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-(methylamino)ethyl (2E)-2-(8-formyl-7,10-dihydroxy-1,4b,8-trimethyl-3,4,4a,5,6,7,8a,9,10,10a-decahydro-1H-phenanthren-2-ylidene)acetate
Role
alias
Source
TCMBank
Preferred
No
Name
2-(methylamino)ethyl (2E)-2-[(1R,4aS,4bR,7S,8R,8aR,10S,10aS)-8-formyl-7,10-dihydroxy-1,4b,8-trimethyl-3,4,4a,5,6,7,8a,9,10,10a-decahydro-1H-phenanthren-2-ylidene]acetate
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(methylamino)ethyl (2E)-2-[(1R,4aS,4bR,7S,8R,8aR,10S,10aS)-8-formyl-7,10-dihydroxy-1,4b,8-trimethyl-3,4,4a,5,6,7,8a,9,10,10a-decahydro-1H-phenanthren-2-ylidene]acetate
Role
alias
Source
itcmdb_public
Preferred
No
Name
55729-25-4
Role
alias
Source
HERB_v2
Preferred
No
Name
55729-25-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1NQYAX
Role
alias
Source
HERB_v2
Preferred
No
Name
AC1NQYAX
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1NUF07
Role
alias
Source
TCMBank
Preferred
No
Name
B630654K031
Role
alias
Source
itcmdb_public
Preferred
No
Name
B630654K031
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:7626
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:7626
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID50415100
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID50415100
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC179178
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC179178
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-(methylamino)ethyl (2E)-2-(8-formyl-7,10-dihydroxy-1,4b,8-trimethyl-3,4,4a,5,6,7,8a,9,10,10a-decahydro-1H-phenanthren-2-ylidene)acetate2-(methylamino)ethyl (2E)-2-[(1R,4aS,4bR,7S,8R,8aR,10S,10aS)-8-formyl-7,10-dihydroxy-1,4b,8-trimethyl-3,4,4a,5,6,7,8a,9,10,10a-decahydro-1H-phenanthren-2-ylidene]acetate55729-25-4AC1NQYAXAC1NUF07B630654K031CHEBI:7626DTXSID50415100NSC179178
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN037337
Tcmid
15737
Sym Map
SMIT16908
Pub Chem
5281283
Tcmbank
TCMBANKIN030048
Etcm Ingredient
Norerythrostachaldine
Itcmdb Generated
ITX-INGREDIENT-0B704649FB62
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C23H37NO5/c1-14-15(11-20(28)29-10-9-24-4)5-6-16-21(14)17(26)12-18-22(16,2)8-7-19(27)23(18,3)13-25/h11,13-14,16-19,21,24,26-27H,5-10,12H2,1-4H3/b15-11+/t14-,16-,17-,18+,19-,21-,22+,23+/m0/s1
Mol Wt
407.5510000000001
Smiles
CC1C2C(CCC1=CC(=O)OCCNC)C3(CCC(C(C3CC2O)(C)C=O)O)C
Mol Log P
2.084699999999999
Version
v1,v2
In Ch Ikey
UYLBTGMINJIZAG-PQTOTZOPSA-N
Suppress
0
Num Hdonors
3
Drug Likeness
0.28
Num Hacceptors
6
Isomeric Smiles
C[C@@H]\1[C@H]2[C@H](CC/C1=C\C(=O)OCCNC)[C@]3(CC[C@@H]([C@]([C@@H]3C[C@@H]2O)(C)C=O)O)C
Canonical Smiles
CC1C2C(CCC1=CC(=O)OCCNC)C3(CCC(C(C3CC2O)(C)C=O)O)C
Herb Alias Names
55729-25-42-(methylamino)ethyl (2E)-2-[(1R,4aS,4bR,7S,8R,8aR,10S,10aS)-8-formyl-7,10-dihydroxy-1,4b,8-trimethyl-3,4,4a,5,6,7,8a,9,10,10a-decahydro-1H-phenanthren-2-ylidene]acetateNSC179178NSC 179178NSC-179178B630654K031AC1NQYAXCHEBI:7626DTXSID50415100
Molecular Weight
407.270
Molecular Weight
407.5 g/mol
Molecular Formula
C23H37NO5
Molecular Formula
C23H37NO5
Molecular Formula
C23H37NO5
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.930
Quantitative Estimate Of Drug Likeness（Qed）
0.280