Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 16665
- Core Entity Id
- 21694
- Source Entity Count
- 1
- Preferred Name
- Dendramine
- Name En
- Pubchem Id
- 5316531
- Smiles Canonical
- CC(C)C1C2C3C4(C(CCC4(C1C(=O)O2)O)CN3C)C
- Molecular Formula
- C16H25NO3
- Molecular Weight
- 279.3800
- Inchikey
- QSNCUGULHPBRGR-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H25NO3/c1-8(2)10-11-14(18)20-12(10)13-15(3)9(7-17(13)4)5-6-16(11,15)19/h8-13,19H,5-7H2,1-4H3
- Isomeric Smiles
- CC(C)C1C2C3C4(C(CCC4(C1C(=O)O2)O)CN3C)C
- Cas Id
- 7668-75-9
- Ob Score
- Mol Logp
- 1.2752
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7350
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dendramine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Dendramine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Dendramine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Dendramine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
dendramine
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Cas
7668-75-9
Herb
HBIN023273
Npass
NPC174885
Tcmid
5105
Sym Map
SMIT23468
Tcm Id
5041
Pub Chem
5316531
Tcmbank
TCMBANKIN011037
Etcm Ingredient
Dendramine
Itcmdb Generated
ITX-INGREDIENT-368E4479C415ITX-INGREDIENT-AB7B843D3616
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H25NO3/c1-8(2)10-11-14(18)20-12(10)13-15(3)9(7-17(13)4)5-6-16(11,15)19/h8-13,19H,5-7H2,1-4H3
Mol Wt
279.38
Cas Id
7668-75-9
Smiles
CC(C)C1C2C3C4(C(CCC4(C1C(=O)O2)O)CN3C)C
Mol Log P
1.2752
Version
v2
In Ch Ikey
QSNCUGULHPBRGR-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.735
Num Hacceptors
4
Isomeric Smiles
CC(C)C1C2C3C4(C(CCC4(C1C(=O)O2)O)CN3C)C
Canonical Smiles
CC(C)C1C2C3C4(C(CCC4(C1C(=O)O2)O)CN3C)C
Molecular Weight
279.180
Molecular Weight
279.37
Molecular Formula
C16H25NO3
Molecular Formula
C16H25NO3
Molecular Formula
C16H25NO3
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.584
Quantitative Estimate Of Drug Likeness（Qed）
0.735