Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 31918
- Core Entity Id
- 38668
- Source Entity Count
- 1
- Preferred Name
- Rhynchophylline n-oxide
- Name En
- Pubchem Id
- 5319410
- Smiles Canonical
- CCC1C[N+]2(CCC3(C2CC1C(=COC)C(=O)OC)C4=CC=CC=C4NC3=O)[O-]
- Molecular Formula
- C22H28N2O5
- Molecular Weight
- 400.4750
- Inchikey
- UQZWROIYWUBTCH-YGMNELGESA-N
- Inchi
- InChI=1S/C22H28N2O5/c1-4-14-12-24(27)10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-28-2)20(25)29-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13+/t14-,15?,19?,22?,24?/m0/s1
- Isomeric Smiles
- CC[C@H]1C[N+]2(CCC3(C2CC1/C(=C\OC)/C(=O)OC)C4=CC=CC=C4NC3=O)[O-]
- Cas Id
- Ob Score
- Mol Logp
- 2.7128
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.2760
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Rhynchophylline N-Oxide
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Rhynchophylline N-oxide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Rhynchophylline n-oxide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Rhynchophylline n-oxide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
rhynchophylline n-oxide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
AC1NSY1P
Role
alias
Source
TCMBank
Preferred
No
Name
methyl (E)-2-[(6'R)-6'-ethyl-4'-oxido-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizin-4-ium]-7'-yl]-3-methoxyprop-2-enoate
Role
alias
Source
TCMBank
Preferred
No
Name
rhynchophyllinen-oxide
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
AC1NSY1Pmethyl (E)-2-[(6'R)-6'-ethyl-4'-oxido-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizin-4-ium]-7'-yl]-3-methoxyprop-2-enoaterhynchophyllinen-oxide
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN042299
Npass
NPC194130
Tcmid
1881231917
Sym Map
SMIT19466
Pub Chem
5319410
Tcmbank
TCMBANKIN032208
Etcm Ingredient
Rhynchophylline N-oxide
Itcmdb Generated
ITX-INGREDIENT-0D423A90DC39
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C22H28N2O5/c1-4-14-12-24(27)10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-28-2)20(25)29-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13+/t14-,15?,19?,22?,24?/m0/s1
Mol Wt
400.4750000000001
Smiles
CCC1C[N+]2(CCC3(C2CC1C(=COC)C(=O)OC)C4=CC=CC=C4NC3=O)[O-]
Mol Log P
2.712800000000001
Version
v1,v2
In Ch Ikey
UQZWROIYWUBTCH-YGMNELGESA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.276
Num Hacceptors
5
Isomeric Smiles
CC[C@H]1C[N+]2(CCC3(C2CC1/C(=C\OC)/C(=O)OC)C4=CC=CC=C4NC3=O)[O-]
Canonical Smiles
CCC1C[N+]2(CCC3(C2CC1C(=COC)C(=O)OC)C4=CC=CC=C4NC3=O)[O-]
Molecular Weight
400.200
Molecular Formula
C22H28N2O5
Molecular Formula
C22H28N2O5
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.989
Quantitative Estimate Of Drug Likeness（Qed）
0.276