Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 36050
- Core Entity Id
- 43260
- Source Entity Count
- 1
- Preferred Name
- Tylocrebrine
- Name En
- Pubchem Id
- 246845
- Smiles Canonical
- COC1=C(C2=C(C=C1)C3=C(CC4CCCN4C3)C5=CC(=C(C=C52)OC)OC)OC
- Molecular Formula
- C24H27NO4
- Molecular Weight
- 393.4830
- Inchikey
- YFEPHJVWLFGWKH-CQSZACIVSA-N
- Inchi
- InChI=1S/C24H27NO4/c1-26-20-8-7-15-19-13-25-9-5-6-14(25)10-16(19)17-11-21(27-2)22(28-3)12-18(17)23(15)24(20)29-4/h7-8,11-12,14H,5-6,9-10,13H2,1-4H3/t14-/m1/s1
- Isomeric Smiles
- COC1=C(C2=C(C=C1)C3=C(C[C@H]4CCCN4C3)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
Tylocrebrine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Tylocrebrine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Tylocrebrine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
tylocrebrine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+)-Tylocrebrine
Role
alias
Source
HERB_v2
Preferred
No
Name
(+)-Tylocrebrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(13aR)-2,3,5,6-tetramethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine
Role
alias
Source
HERB_v2
Preferred
No
Name
(13aR)-2,3,5,6-tetramethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine
Role
alias
Source
itcmdb_public
Preferred
No
Name
3807I5NR9S
Role
alias
Source
itcmdb_public
Preferred
No
Name
3807I5NR9S
Role
alias
Source
HERB_v2
Preferred
No
Name
6879-02-3
Role
alias
Source
HERB_v2
Preferred
No
Name
6879-02-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lylocrebrine
Role
alias
Source
HERB_v2
Preferred
No
Name
Lylocrebrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC-60387
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC60387
Role
alias
Source
HERB_v2
Preferred
No
Name
Tylocerebrine
Role
alias
Source
HERB_v2
Preferred
No
Name
Tylocerebrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tylocrebrin
Role
alias
Source
HERB_v2
Preferred
No
Name
Tylocrebrin
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(+)-Tylocrebrine(13aR)-2,3,5,6-tetramethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine3807I5NR9S6879-02-3LylocrebrineNSC-60387NSC60387TylocerebrineTylocrebrin
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN047417
Tcmid
22130
Tcm Id
24174305
Pub Chem
246845
Tcmbank
TCMBANKIN032859
Etcm Ingredient
Tylocrebrine
Itcmdb Generated
ITX-INGREDIENT-90A5B372BEB2
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C24H27NO4/c1-26-20-8-7-15-19-13-25-9-5-6-14(25)10-16(19)17-11-21(27-2)22(28-3)12-18(17)23(15)24(20)29-4/h7-8,11-12,14H,5-6,9-10,13H2,1-4H3/t14-/m1/s1
Mol Wt
393.4830000000001
Smiles
COC1=C(C2=C(C=C1)C3=C(CC4CCCN4C3)C5=CC(=C(C=C52)OC)OC)OC
Mol Log P
4.547900000000003
In Ch Ikey
YFEPHJVWLFGWKH-CQSZACIVSA-N
Num Hdonors
0
Drug Likeness
0.608
Num Hacceptors
5
Isomeric Smiles
COC1=C(C2=C(C=C1)C3=C(C[C@H]4CCCN4C3)C5=CC(=C(C=C52)OC)OC)OC
Canonical Smiles
COC1=C(C2=C(C=C1)C3=C(CC4CCCN4C3)C5=CC(=C(C=C52)OC)OC)OC
Herb Alias Names
Tylocrebrin6879-02-3LylocrebrineTylocerebrine(+)-TylocrebrineNSC60387NSC-60387(13aR)-2,3,5,6-tetramethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine3807I5NR9S
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)
0.863
Quantitative Estimate Of Drug Likeness（Qed）
0.608