Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 31915
- Core Entity Id
- 38665
- Source Entity Count
- 1
- Preferred Name
- Rhynchophine
- Name En
- Pubchem Id
- 11972452
- Smiles Canonical
- COC1=C(C=CC(=C1)C=CC(=O)OCC2C(C(C(C(O2)OC3C(C4CC5C6=C(CCN5C(=O)C4=CO3)C7=CC=CC=C7N6)C=C)O)O)O)O
- Molecular Formula
- C36H38N2O11
- Molecular Weight
- 674.7030
- Inchikey
- RKWFJAHMIPBSAR-KBOBHBDSSA-N
- Inchi
- InChI=1S/C36H38N2O11/c1-3-19-22-15-25-30-21(20-6-4-5-7-24(20)37-30)12-13-38(25)34(44)23(22)16-47-35(19)49-36-33(43)32(42)31(41)28(48-36)17-46-29(40)11-9-18-8-10-26(39)27(14-18)45-2/h3-11,14,16,19,22,25,28,31-33,35-37,39,41-43H,1,12-13,15,17H2,2H3/b11-9+/t19-,22+,25-,28+,31-,32-,33-,35?,36?/m1/s1
- Isomeric Smiles
- COC1=C(C=CC(=C1)/C=C/C(=O)OC[C@H]2[C@H]([C@H]([C@H](C(O2)OC3[C@@H]([C@@H]4C[C@@H]5C6=C(CCN5C(=O)C4=CO3)C7=CC=CC=C7N6)C=C)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.4510
- Num H Donors
- 5
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.1350
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Rhynchophine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Rhynchophine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Rhynchophine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Rhynchophine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
rhynchophine
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN042295
Npass
NPC244572
Tcmid
18809
Sym Map
SMIT01597
Tcm Id
1102
Pub Chem
11972452
Tcmbank
TCMBANKIN002097
Etcm Ingredient
Rhynchophine
Itcmdb Generated
ITX-INGREDIENT-C91145907960
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C36H38N2O11/c1-3-19-22-15-25-30-21(20-6-4-5-7-24(20)37-30)12-13-38(25)34(44)23(22)16-47-35(19)49-36-33(43)32(42)31(41)28(48-36)17-46-29(40)11-9-18-8-10-26(39)27(14-18)45-2/h3-11,14,16,19,22,25,28,31-33,35-37,39,41-43H,1,12-13,15,17H2,2H3/b11-9+/t19-,22+,25-,28+,31-,32-,33-,35?,36?/m1/s1
Mol Wt
674.7030000000005
Smiles
COC1=C(C=CC(=C1)C=CC(=O)OCC2C(C(C(C(O2)OC3C(C4CC5C6=C(CCN5C(=O)C4=CO3)C7=CC=CC=C7N6)C=C)O)O)O)O
Mol Log P
2.451000000000001
Version
v1,v2
In Ch Ikey
RKWFJAHMIPBSAR-KBOBHBDSSA-N
Suppress
0
Num Hdonors
5
Drug Likeness
0.135
Num Hacceptors
11
Isomeric Smiles
COC1=C(C=CC(=C1)/C=C/C(=O)OC[C@H]2[C@H]([C@H]([C@H](C(O2)OC3[C@@H]([C@@H]4C[C@@H]5C6=C(CCN5C(=O)C4=CO3)C7=CC=CC=C7N6)C=C)O)O)O)O
Canonical Smiles
COC1=C(C=CC(=C1)C=CC(=O)OCC2C(C(C(C(O2)OC3C(C4CC5C6=C(CCN5C(=O)C4=CO3)C7=CC=CC=C7N6)C=C)O)O)O)O
Molecular Weight
674.250
Molecule Formula
C36H38N2O11
Molecular Formula
C36H38N2O11
Molecular Formula
C36H38N2O11
Molecular Formula
C36H38N2O11
Num Rotatable Bonds
8
Fda Maximum Daily Dose (Fdamdd)
0.966
Quantitative Estimate Of Drug Likeness（Qed）
0.135