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
- 16357
- Core Entity Id
- 21352
- Source Entity Count
- 1
- Preferred Name
- Decarbomethoxynaucl echine
- Name En
- Pubchem Id
- 101973412
- Smiles Canonical
- C1CN2CC(C3=C(CC2C4=C1C5=CC=CC=C5N4)C=CN=C3)O
- Molecular Formula
- C19H19N3O
- Molecular Weight
- 305.3810
- Inchikey
- BBDKBEJVWCSVSN-ZWKOTPCHSA-N
- Inchi
- InChI=1S/C19H19N3O/c23-18-11-22-8-6-14-13-3-1-2-4-16(13)21-19(14)17(22)9-12-5-7-20-10-15(12)18/h1-5,7,10,17-18,21,23H,6,8-9,11H2/t17-,18+/m0/s1
- Isomeric Smiles
- C1CN2C[C@H](C3=C(C[C@H]2C4=C1C5=CC=CC=C5N4)C=CN=C3)O
- Cas Id
- Ob Score
- Mol Logp
- 2.7518
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6710
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Decarbomethoxy naucl echine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Decarbomethoxynaucl echine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Decarbomethoxynaucl echine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
decarbomethoxynaucl echine
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
Decarbomethoxy naucl echine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN022908
Tcmid
4839
Pub Chem
101973412
Tcmbank
TCMBANKIN007428
Etcm Ingredient
Decarbomethoxy naucl echine
Itcmdb Generated
ITX-INGREDIENT-A0E098E41ECA
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H19N3O/c23-18-11-22-8-6-14-13-3-1-2-4-16(13)21-19(14)17(22)9-12-5-7-20-10-15(12)18/h1-5,7,10,17-18,21,23H,6,8-9,11H2/t17-,18+/m0/s1
Mol Wt
305.381
Smiles
C1CN2CC(C3=C(CC2C4=C1C5=CC=CC=C5N4)C=CN=C3)O
Mol Log P
2.751800000000001
In Ch Ikey
BBDKBEJVWCSVSN-ZWKOTPCHSA-N
Num Hdonors
2
Drug Likeness
0.671
Num Hacceptors
3
Isomeric Smiles
C1CN2C[C@H](C3=C(C[C@H]2C4=C1C5=CC=CC=C5N4)C=CN=C3)O
Canonical Smiles
C1CN2CC(C3=C(CC2C4=C1C5=CC=CC=C5N4)C=CN=C3)O
Molecular Weight
305.150
Molecular Formula
C19H19N3O
Molecular Formula
C19H19N3O
Molecular Formula
C19H19N3O
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.992
Quantitative Estimate Of Drug Likeness（Qed）
0.671