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: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8549
- Core Entity Id
- 12672
- Source Entity Count
- 1
- Preferred Name
- 7-o-methylhayatidine
- Name En
- Pubchem Id
- 11212280
- Smiles Canonical
- CC1CC2=C(C(=CC(=C2C(=N1)C)OC)OC)C3=C4C=CC=C(C4=C(C=C3C)OC)OC
- Molecular Formula
- C26H29NO4
- Molecular Weight
- 419.5210
- Inchikey
- XSHYHGPIMCKDFK-HNNXBMFYSA-N
- Inchi
- InChI=1S/C26H29NO4/c1-14-11-20(29-5)25-17(9-8-10-19(25)28-4)23(14)26-18-12-15(2)27-16(3)24(18)21(30-6)13-22(26)31-7/h8-11,13,15H,12H2,1-7H3/t15-/m0/s1
- Isomeric Smiles
- C[C@H]1CC2=C(C(=CC(=C2C(=N1)C)OC)OC)C3=C4C=CC=C(C4=C(C=C3C)OC)OC
- Cas Id
- Ob Score
- Mol Logp
- 5.6032
- Num H Donors
- 0
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.5400
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7- O- methylhayatidine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7-o-methylhayatidine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
7-o-methylhayatidine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(3S)-5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinoline
Role
alias
Source
HERB_v2
Preferred
No
Name
(3S)-5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinoline
Role
alias
Source
itcmdb_public
Preferred
No
Name
134984-06-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
134984-06-8
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL464727
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL464727
Role
alias
Source
itcmdb_public
Preferred
No
Name
Isoquinoline, 5-(4,5-dimethoxy-2-methyl-1-naphthalenyl)-3,4-dihydro-6,8-dimethoxy-1,3-dimethyl-, (3S,5S)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Isoquinoline, 5-(4,5-dimethoxy-2-methyl-1-naphthalenyl)-3,4-dihydro-6,8-dimethoxy-1,3-dimethyl-, (3S,5S)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
O-Methylancistrocladinine
Role
alias
Source
HERB_v2
Preferred
No
Name
O-Methylancistrocladinine
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
7- O- methylhayatidine(3S)-5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinoline134984-06-8CHEMBL464727Isoquinoline, 5-(4,5-dimethoxy-2-methyl-1-naphthalenyl)-3,4-dihydro-6,8-dimethoxy-1,3-dimethyl-, (3S,5S)-O-Methylancistrocladinine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013409
Npass
NPC265473
Tcmid
37328
Pub Chem
11212280
Tcmbank
TCMBANKIN003071
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C26H29NO4/c1-14-11-20(29-5)25-17(9-8-10-19(25)28-4)23(14)26-18-12-15(2)27-16(3)24(18)21(30-6)13-22(26)31-7/h8-11,13,15H,12H2,1-7H3/t15-/m0/s1
Mol Wt
419.5210000000002
Smiles
CC1CC2=C(C(=CC(=C2C(=N1)C)OC)OC)C3=C4C=CC=C(C4=C(C=C3C)OC)OC
Mol Log P
5.603220000000006
In Ch Ikey
XSHYHGPIMCKDFK-HNNXBMFYSA-N
Num Hdonors
0
Drug Likeness
0.54
Num Hacceptors
5
Isomeric Smiles
C[C@H]1CC2=C(C(=CC(=C2C(=N1)C)OC)OC)C3=C4C=CC=C(C4=C(C=C3C)OC)OC
Canonical Smiles
CC1CC2=C(C(=CC(=C2C(=N1)C)OC)OC)C3=C4C=CC=C(C4=C(C=C3C)OC)OC
Herb Alias Names
O-Methylancistrocladinine134984-06-8Isoquinoline, 5-(4,5-dimethoxy-2-methyl-1-naphthalenyl)-3,4-dihydro-6,8-dimethoxy-1,3-dimethyl-, (3S,5S)-CHEMBL464727(3S)-5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinoline
Molecular Formula
C26H29NO4
Molecular Formula
C26H29NO4
Num Rotatable Bonds
5