Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 33587
- Core Entity Id
- 40526
- Source Entity Count
- 1
- Preferred Name
- Songoramine
- Name En
- Pubchem Id
- 134715137
- Smiles Canonical
- CCN1C2C3CC4C2(C5CCC4(C1O5)C)C6C37CC(C(=C)C7O)C(=O)C6
- Molecular Formula
- C22H29NO3
- Molecular Weight
- 355.4780
- Inchikey
- YSSPOBAEOOLGAT-UHFFFAOYSA-N
- Inchi
- InChI=1S/C22H29NO3/c1-4-23-17-12-7-14-20(3)6-5-16(26-19(20)23)22(14,17)15-8-13(24)11-9-21(12,15)18(25)10(11)2/h11-12,14-19,25H,2,4-9H2,1,3H3
- Isomeric Smiles
- CCN1C2C3CC4C2(C5CCC4(C1O5)C)C6C37CC(C(=C)C7O)C(=O)C6
- Cas Id
- Ob Score
- Mol Logp
- 2.3640
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7340
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Songoramine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Songoramine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Songoramine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Songoramine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
songoramine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
11-ethyl-19-hydroxy-5-methyl-18-methylidene-9-oxa-11-azaheptacyclo[15.2.1.01,14.02,12.04,13.05,10.08,13]icosan-16-one
Role
alias
Source
HERB_v2
Preferred
No
Name
11-ethyl-19-hydroxy-5-methyl-18-methylidene-9-oxa-11-azaheptacyclo[15.2.1.01,14.02,12.04,13.05,10.08,13]icosan-16-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
23179-78-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
23179-78-4
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040763120
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040763120
Role
alias
Source
HERB_v2
Preferred
No
Name
CID 14526618
Role
alias
Source
itcmdb_public
Preferred
No
Name
CID 14526618
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
11-ethyl-19-hydroxy-5-methyl-18-methylidene-9-oxa-11-azaheptacyclo[15.2.1.01,14.02,12.04,13.05,10.08,13]icosan-16-one23179-78-4AKOS040763120CID 14526618
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN044334
Tcmid
20059
Sym Map
SMIT26870
Pub Chem
13471513714526618
Tcmbank
TCMBANKIN028830
Etcm Ingredient
Songoramine
Itcmdb Generated
ITX-INGREDIENT-2DD0A36EB554ITX-INGREDIENT-B9007F3F77A2
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C22H29NO3/c1-4-23-17-12-7-14-20(3)6-5-16(26-19(20)23)22(14,17)15-8-13(24)11-9-21(12,15)18(25)10(11)2/h11-12,14-19,25H,2,4-9H2,1,3H3
Mol Wt
355.4780000000001
Smiles
CCN1C2C3CC4C2(C5CCC4(C1O5)C)C6C37CC(C(=C)C7O)C(=O)C6
Mol Log P
2.364000000000001
Version
v2
In Ch Ikey
YSSPOBAEOOLGAT-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.734
Num Hacceptors
4
Isomeric Smiles
CCN1C2C3CC4C2(C5CCC4(C1O5)C)C6C37CC(C(=C)C7O)C(=O)C6
Canonical Smiles
CCN1C2C3CC4C2(C5CCC4(C1O5)C)C6C37CC(C(=C)C7O)C(=O)C6
Herb Alias Names
23179-78-411-ethyl-19-hydroxy-5-methyl-18-methylidene-9-oxa-11-azaheptacyclo[15.2.1.01,14.02,12.04,13.05,10.08,13]icosan-16-oneAKOS040763120CID 14526618
Molecular Weight
355.210
Molecular Weight
355.5 g/mol
Molecular Formula
C22H29NO3
Molecular Formula
C22H29NO3
Molecular Formula
C22H29NO3
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.958
Quantitative Estimate Of Drug Likeness（Qed）
0.725