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
- 30249
- Core Entity Id
- 36807
- Source Entity Count
- 1
- Preferred Name
- Pluviine
- Name En
- Pubchem Id
- 101289753
- Smiles Canonical
- COC1=C(C=C2C3C(CC=C4C3N(CC4)CC2=C1)O)OC
- Molecular Formula
- C17H21NO3
- Molecular Weight
- 287.3590
- Inchikey
- PPXDSINXGXMGAE-KBRIMQKVSA-N
- Inchi
- InChI=1S/C17H21NO3/c1-20-14-7-11-9-18-6-5-10-3-4-13(19)16(17(10)18)12(11)8-15(14)21-2/h3,7-8,13,16-17,19H,4-6,9H2,1-2H3/t13-,16-,17-/m1/s1
- Isomeric Smiles
- COC1=C(C=C2[C@@H]3[C@@H](CC=C4[C@H]3N(CC4)CC2=C1)O)OC
- Cas Id
- Ob Score
- Mol Logp
- 2.0663
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.8460
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Pluviine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Pluviine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Pluviine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
pluviine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
NS00094254
Role
alias
Source
HERB_v2
Preferred
No
Name
NS00094254
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
NS00094254
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN040274
Npass
NPC14470
Tcmid
17559
Pub Chem
101289753
Tcmbank
TCMBANKIN025350
Etcm Ingredient
Pluviine
Itcmdb Generated
ITX-INGREDIENT-91D559DBA44B
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H21NO3/c1-20-14-7-11-9-18-6-5-10-3-4-13(19)16(17(10)18)12(11)8-15(14)21-2/h3,7-8,13,16-17,19H,4-6,9H2,1-2H3/t13-,16-,17-/m1/s1
Mol Wt
287.359
Smiles
COC1=C(C=C2C3C(CC=C4C3N(CC4)CC2=C1)O)OC
Mol Log P
2.0663
In Ch Ikey
PPXDSINXGXMGAE-KBRIMQKVSA-N
Num Hdonors
1
Drug Likeness
0.846
Num Hacceptors
4
Isomeric Smiles
COC1=C(C=C2[C@@H]3[C@@H](CC=C4[C@H]3N(CC4)CC2=C1)O)OC
Canonical Smiles
COC1=C(C=C2C3C(CC=C4C3N(CC4)CC2=C1)O)OC
Herb Alias Names
NS00094254
Molecular Weight
287.150
Molecular Weight
287.35 g/mol
Molecular Formula
C17H21NO3
Molecular Formula
C17H21NO3
Molecular Formula
C17H21NO3
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.920
Quantitative Estimate Of Drug Likeness（Qed）
0.846