Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6424
- Core Entity Id
- 10320
- Source Entity Count
- 1
- Preferred Name
- 5,10b-epoxy-phenanthridine
- Name En
- Pubchem Id
- 628992
- Smiles Canonical
- COC1CC2C3(C4C1O4)C(=O)CN2CC5=C(C6=C(C=C35)OCO6)OC
- Molecular Formula
- C18H19NO6
- Molecular Weight
- 345.3510
- Inchikey
- NSCVOKLFDCICAT-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H19NO6/c1-21-10-4-12-18(17-16(10)25-17)9-3-11-15(24-7-23-11)14(22-2)8(9)5-19(12)6-13(18)20/h3,10,12,16-17H,4-7H2,1-2H3
- Isomeric Smiles
- COC1CC2C3(C4C1O4)C(=O)CN2CC5=C(C6=C(C=C35)OCO6)OC
- Cas Id
- Ob Score
- Mol Logp
- 0.6147
- Num H Donors
- 0
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7280
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5,10b- epoxy- phenanthridine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5,10b-epoxy-phenanthridine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
5,10b-epoxy-phenanthridine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2H,5H-4,10b-Ethano[1,3]dioxolo[4,5-j]oxireno[a]phenanthridine, crinan-11-one deriv.
Role
alias
Source
HERB_v2
Preferred
No
Name
2H,5H-4,10b-Ethano[1,3]dioxolo[4,5-j]oxireno[a]phenanthridine, crinan-11-one deriv.
Role
alias
Source
itcmdb_public
Preferred
No
Name
Crinan-11-one, 1,2-epoxy-3,7-dimethoxy-, (1.beta.,2.beta.,3.alpha.)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Crinan-11-one, 1,2-epoxy-3,7-dimethoxy-, (1.beta.,2.beta.,3.alpha.)-
Role
alias
Source
HERB_v2
Preferred
No
Name
NSCVOKLFDCICAT-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
NSCVOKLFDCICAT-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
5,10b- epoxy- phenanthridine2H,5H-4,10b-Ethano[1,3]dioxolo[4,5-j]oxireno[a]phenanthridine, crinan-11-one deriv.Crinan-11-one, 1,2-epoxy-3,7-dimethoxy-, (1.beta.,2.beta.,3.alpha.)-NSCVOKLFDCICAT-UHFFFAOYSA-N
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010945
Npass
NPC31869
Tcmid
42862
Pub Chem
628992
Tcmbank
TCMBANKIN010750
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H19NO6/c1-21-10-4-12-18(17-16(10)25-17)9-3-11-15(24-7-23-11)14(22-2)8(9)5-19(12)6-13(18)20/h3,10,12,16-17H,4-7H2,1-2H3
Mol Wt
345.3510000000001
Smiles
COC1CC2C3(C4C1O4)C(=O)CN2CC5=C(C6=C(C=C35)OCO6)OC
Mol Log P
0.6146999999999996
In Ch Ikey
NSCVOKLFDCICAT-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.728
Num Hacceptors
7
Isomeric Smiles
COC1CC2C3(C4C1O4)C(=O)CN2CC5=C(C6=C(C=C35)OCO6)OC
Canonical Smiles
COC1CC2C3(C4C1O4)C(=O)CN2CC5=C(C6=C(C=C35)OCO6)OC
Herb Alias Names
NSCVOKLFDCICAT-UHFFFAOYSA-NCrinan-11-one, 1,2-epoxy-3,7-dimethoxy-, (1.beta.,2.beta.,3.alpha.)-2H,5H-4,10b-Ethano[1,3]dioxolo[4,5-j]oxireno[a]phenanthridine, crinan-11-one deriv.
Molecular Formula
C18H19NO6
Molecular Formula
C18H19NO6
Num Rotatable Bonds
2