Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 3Ingredient: 1Target: 2Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 38870
- Core Entity Id
- 68468
- Source Entity Count
- 1
- Preferred Name
- 16beta-hydroxy-19s-vindolinine n-oxide
- Name En
- Pubchem Id
- 24893872
- Smiles Canonical
- CC1C23CC(C14C5(C2[N+](CC5)(CC=C3)[O-])C6=CC=CC=C6N4)(C(=O)OC)O
- Molecular Formula
- C21H24N2O4
- Molecular Weight
- 368.4330
- Inchikey
- SZURHNIKTSQFGG-DKZPXPCGSA-N
- Inchi
- InChI=1S/C21H24N2O4/c1-13-18-8-5-10-23(26)11-9-19(16(18)23)14-6-3-4-7-15(14)22-21(13,19)20(25,12-18)17(24)27-2/h3-8,13,16,22,25H,9-12H2,1-2H3/t13?,16?,18?,19?,20-,21?,23?/m0/s1
- Isomeric Smiles
- CC1C23C[C@@](C14C5(C2[N+](CC5)(CC=C3)[O-])C6=CC=CC=C6N4)(C(=O)OC)O
- Cas Id
- Ob Score
- 2.0606
- Mol Logp
- 1.6893
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.3410
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
16Beta-Hydroxy-19S-Vindolinine N-Oxide
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
16beta-Hydroxy-19S-vindolinine N-oxide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
16beta-hydroxy-19s-vindolinine n-oxide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
16beta-hydroxy-19s-vindolinine n-oxide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
16beta-hydroxy-19s-vindolinine n-oxide
Role
alias
Source
TCMBank
Preferred
No
Name
16β-hydroxy-19s-vindolininen-oxide
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
16β-hydroxy-19s-vindolininen-oxide
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN001828
Npass
NPC223023
Tcmid
1082331273
Tcmsp
MOL003419
Sym Map
SMIT05492SMIT19264
Pub Chem
24893872
Tcmbank
TCMBANKIN042308
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H24N2O4/c1-13-18-8-5-10-23(26)11-9-19(16(18)23)14-6-3-4-7-15(14)22-21(13,19)20(25,12-18)17(24)27-2/h3-8,13,16,22,25H,9-12H2,1-2H3/t13?,16?,18?,19?,20-,21?,23?/m0/s1
Mol Wt
368.433
Smiles
CC1C23CC(C14C5(C2[N+](CC5)(CC=C3)[O-])C6=CC=CC=C6N4)(C(=O)OC)O
Mol Log P
1.6893
Version
v1,v2
In Ch Ikey
SZURHNIKTSQFGG-DKZPXPCGSA-N
Ob Score
2.0605539982.0605542.061
Suppress
1
Mol2 Path
/TCM_database/2003_3d_all/4177.mol2
Reference
819
Num Hdonors
2
Drug Likeness
0.341
Num Hacceptors
5
Isomeric Smiles
CC1C23C[C@@](C14C5(C2[N+](CC5)(CC=C3)[O-])C6=CC=CC=C6N4)(C(=O)OC)O
Molecule Weight
369.48
Canonical Smiles
CC1C23CC(C14C5(C2[N+](CC5)(CC=C3)[O-])C6=CC=CC=C6N4)(C(=O)OC)O
Molecular Weight
369.48
Molecular Formula
C21H24N2O4
Num Rotatable Bonds
1
Link Ingredient Id
5492.0