Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 6Ingredient: 1Target: 12Links: 18
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 29406
- Core Entity Id
- 35870
- Source Entity Count
- 1
- Preferred Name
- Peraksine
- Name En
- Pubchem Id
- 101289816
- Smiles Canonical
- CC1C2COC(C3C2CC4N1C3CC5=C4NC6=CC=CC=C56)O
- Molecular Formula
- C19H22N2O2
- Molecular Weight
- 310.3970
- Inchikey
- LVOPRJWLXUCHRL-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H22N2O2/c1-9-13-8-23-19(22)17-11(13)6-16-18-12(7-15(17)21(9)16)10-4-2-3-5-14(10)20-18/h2-5,9,11,13,15-17,19-20,22H,6-8H2,1H3
- Isomeric Smiles
- CC1C2COC(C3C2CC4N1C3CC5=C4NC6=CC=CC=C56)O
- Cas Id
- 15527-80-7
- Ob Score
- 82.5810
- Mol Logp
- 2.4387
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.7860
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Peraksine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Peraksine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Peraksine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Peraksine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Peraksine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
15527-80-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
15527-80-7
Role
alias
Source
HERB_v2
Preferred
No
Name
18-Norsarpagan-17-ol, 17,19-epoxy-19,20-dihydro-21-methyl-, (17R,20beta,21alpha)- (9CI)
Role
alias
Source
HERB_v2
Preferred
No
Name
18-Norsarpagan-17-ol, 17,19-epoxy-19,20-dihydro-21-methyl-, (17R,20beta,21alpha)- (9CI)
Role
alias
Source
itcmdb_public
Preferred
No
Name
21-methyl-18-oxa-1,11-diazahexacyclo[11.8.0.02,16.04,12.05,10.015,20]henicosa-4(12),5,7,9-tetraen-17-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
21-methyl-18-oxa-1,11-diazahexacyclo[11.8.0.02,16.04,12.05,10.015,20]henicosa-4(12),5,7,9-tetraen-17-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040763104
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040763104
Role
alias
Source
itcmdb_public
Preferred
No
Name
Alkaloid RP 5, from Rauwolfia perakensis
Role
alias
Source
itcmdb_public
Preferred
No
Name
Alkaloid RP 5, from Rauwolfia perakensis
Role
alias
Source
HERB_v2
Preferred
No
Name
Vomifoline
Role
alias
Source
HERB_v2
Preferred
No
Name
Vomifoline
Role
alias
Source
itcmdb_public
Preferred
No
Name
peraksine
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
15527-80-718-Norsarpagan-17-ol, 17,19-epoxy-19,20-dihydro-21-methyl-, (17R,20beta,21alpha)- (9CI)21-methyl-18-oxa-1,11-diazahexacyclo[11.8.0.02,16.04,12.05,10.015,20]henicosa-4(12),5,7,9-tetraen-17-olAKOS040763104Alkaloid RP 5, from Rauwolfia perakensisVomifoline
Cross References
Trusted external identifiers retained for this final record.
Cas
15527-80-7
Herb
HBIN039207
Tcmid
16896
Tcmsp
MOL009136
Sym Map
SMIT10309SMIT17143
Pub Chem
1012898161020043887814643291895477
Tcmbank
TCMBANKIN031236
Etcm Ingredient
Peraksine
Itcmdb Generated
ITX-INGREDIENT-5BEC7F15F2D5
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H22N2O2/c1-9-13-8-23-19(22)17-11(13)6-16-18-12(7-15(17)21(9)16)10-4-2-3-5-14(10)20-18/h2-5,9,11,13,15-17,19-20,22H,6-8H2,1H3
Mol Wt
310.397
Cas Id
15527-80-7
Smiles
CC1C2COC(C3C2CC4N1C3CC5=C4NC6=CC=CC=C56)O
Mol Log P
2.4387
Version
v1,v2
In Ch Ikey
LVOPRJWLXUCHRL-UHFFFAOYSA-N
Ob Score
82.5809738482.58097482.581
Suppress
1
Num Hdonors
2
Drug Likeness
0.786
Num Hacceptors
3
Isomeric Smiles
CC1C2COC(C3C2CC4N1C3CC5=C4NC6=CC=CC=C56)O
Molecule Weight
310.43
Canonical Smiles
CC1C2COC(C3C2CC4N1C3CC5=C4NC6=CC=CC=C56)O
Herb Alias Names
15527-80-721-methyl-18-oxa-1,11-diazahexacyclo[11.8.0.02,16.04,12.05,10.015,20]henicosa-4(12),5,7,9-tetraen-17-olAlkaloid RP 5, from Rauwolfia perakensisVomifolineAKOS04076310418-Norsarpagan-17-ol, 17,19-epoxy-19,20-dihydro-21-methyl-, (17R,20beta,21alpha)- (9CI)
Molecular Weight
310.170
Molecular Weight
310.39
Molecular Formula
C19H22N2O2
Molecular Formula
C19H22N2O2
Molecular Formula
C19H22N2O2
Num Rotatable Bonds
0
Link Ingredient Id
10309.0
Fda Maximum Daily Dose (Fdamdd)
0.966
Quantitative Estimate Of Drug Likeness（Qed）
0.786