Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Reference: 2Target: 12Links: 18
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 36054
- Core Entity Id
- 43265
- Source Entity Count
- 1
- Preferred Name
- Tylophorine
- Name En
- Pubchem Id
- 10883727
- Smiles Canonical
- COC1=C(C=C2C(=C1)C3=C(CN4CCCC4C3)C5=CC(=C(C=C52)OC)OC)OC
- Molecular Formula
- C24H27NO4
- Molecular Weight
- 393.4830
- Inchikey
- SSEUDFYBEOIWGF-AWEZNQCLSA-N
- Inchi
- InChI=1S/C24H27NO4/c1-26-21-9-16-15-8-14-6-5-7-25(14)13-20(15)19-12-24(29-4)23(28-3)11-18(19)17(16)10-22(21)27-2/h9-12,14H,5-8,13H2,1-4H3/t14-/m0/s1
- Isomeric Smiles
- COC1=C(C=C2C(=C1)C3=C(CN4CCC[C@H]4C3)C5=CC(=C(C=C52)OC)OC)OC
- Cas Id
- Ob Score
- Mol Logp
- 4.5479
- Num H Donors
- 0
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.6080
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Tylophorine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Tylophorine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Tylophorine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
tylophorine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+)-(S)-Tylophorine
Role
alias
Source
HERB_v2
Preferred
No
Name
(+)-(S)-Tylophorine
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,3,6,7-Tetramethoxyphenanthro(9,10:6,7')indolizidine
Role
alias
Source
HERB_v2
Preferred
No
Name
2,3,6,7-Tetramethoxyphenanthro(9,10:6,7')indolizidine
Role
alias
Source
itcmdb_public
Preferred
No
Name
482-20-2
Role
alias
Source
HERB_v2
Preferred
No
Name
482-20-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 76387
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC-717335
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC-717335
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC-76387
Role
alias
Source
itcmdb_public
Preferred
No
Name
O41630Y8V3
Role
alias
Source
HERB_v2
Preferred
No
Name
O41630Y8V3
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tylophorin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tylophorin
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-O41630Y8V3
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-O41630Y8V3
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(+)-(S)-Tylophorine2,3,6,7-Tetramethoxyphenanthro(9,10:6,7')indolizidine482-20-2NSC 76387NSC-717335NSC-76387O41630Y8V3TylophorinUNII-O41630Y8V3
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN047423
Npass
NPC130941
Tcmid
22135
Tcm Id
24175304
Pub Chem
1088372792114
Tcmbank
TCMBANKIN000035
Etcm Ingredient
Tylophorine
Itcmdb Generated
ITX-INGREDIENT-A222F0C9D611
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C24H27NO4/c1-26-21-9-16-15-8-14-6-5-7-25(14)13-20(15)19-12-24(29-4)23(28-3)11-18(19)17(16)10-22(21)27-2/h9-12,14H,5-8,13H2,1-4H3/t14-/m0/s1
Mol Wt
393.4830000000001
Smiles
COC1=C(C=C2C(=C1)C3=C(CN4CCCC4C3)C5=CC(=C(C=C52)OC)OC)OC
Mol Log P
4.547900000000003
In Ch Ikey
SSEUDFYBEOIWGF-AWEZNQCLSA-N
Num Hdonors
0
Drug Likeness
0.608
Num Hacceptors
5
Isomeric Smiles
COC1=C(C=C2C(=C1)C3=C(CN4CCC[C@H]4C3)C5=CC(=C(C=C52)OC)OC)OC
Canonical Smiles
COC1=C(C=C2C(=C1)C3=C(CN4CCCC4C3)C5=CC(=C(C=C52)OC)OC)OC
Herb Alias Names
482-20-2Tylophorin(+)-(S)-TylophorineUNII-O41630Y8V32,3,6,7-Tetramethoxyphenanthro(9,10:6,7')indolizidineNSC 76387NSC-76387NSC-717335O41630Y8V3
Molecular Weight
393.190
Molecular Weight
393.5 g/mol
Molecular Formula
C24H27NO4
Molecular Formula
C24H27NO4
Molecular Formula
C24H27NO4
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.885
Quantitative Estimate Of Drug Likeness（Qed）
0.608