Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 39204
- Core Entity Id
- 71583
- Source Entity Count
- 1
- Preferred Name
- 19-(z)-taberpsychine
- Name En
- Pubchem Id
- 5321582
- Smiles Canonical
- CC=C1CN(CCC2=C(C3CC1CCO3)NC4=CC=CC=C24)C
- Molecular Formula
- C20H26N2O
- Molecular Weight
- 310.4410
- Inchikey
- UDRPERFNEICWTJ-LZWSPWQCSA-N
- Inchi
- InChI=1S/C20H26N2O/c1-3-14-13-22(2)10-8-17-16-6-4-5-7-18(16)21-20(17)19-12-15(14)9-11-23-19/h3-7,15,19,21H,8-13H2,1-2H3/b14-3+
- Isomeric Smiles
- C/C=C/1\CN(CCC2=C(C3CC1CCO3)NC4=CC=CC=C24)C
- Cas Id
- Ob Score
- Mol Logp
- 4.0698
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.7430
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
19-(Z)-Taberpsychine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
19-(z)-taberpsychine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
19-(z)-taberpsychine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
19-(z)-taberpsychine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN002225
Npass
NPC79951
Tcmid
20563
Pub Chem
5321582
Tcmbank
TCMBANKIN004729
Etcm Ingredient
19-(Z)-Taberpsychine
Itcmdb Generated
ITX-INGREDIENT-543DD4C6008B
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H26N2O/c1-3-14-13-22(2)10-8-17-16-6-4-5-7-18(16)21-20(17)19-12-15(14)9-11-23-19/h3-7,15,19,21H,8-13H2,1-2H3/b14-3+
Mol Wt
310.441
Smiles
CC=C1CN(CCC2=C(C3CC1CCO3)NC4=CC=CC=C24)C
Mol Log P
4.069800000000003
In Ch Ikey
UDRPERFNEICWTJ-LZWSPWQCSA-N
Num Hdonors
1
Drug Likeness
0.743
Num Hacceptors
2
Isomeric Smiles
C/C=C/1\CN(CCC2=C(C3CC1CCO3)NC4=CC=CC=C24)C
Canonical Smiles
CC=C1CN(CCC2=C(C3CC1CCO3)NC4=CC=CC=C24)C
Molecular Weight
310.200
Molecular Formula
C20H26N2O
Molecular Formula
C20H26N2O
Molecular Formula
C20H26N2O
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.969
Quantitative Estimate Of Drug Likeness（Qed）
0.743